<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353801</id>
  <title nil="true"/>
  <common-name>(5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate</common-name>
  <description>(5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate is a chemical compound with the formula C35H48N2O10. With an average molecular weight of 656.80 g/mol, (5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate is a heavy molecule.</description>
  <cas>129477-59-4</cas>
  <pubchem-id>3075974</pubchem-id>
  <chemical-formula>C35H48N2O10</chemical-formula>
  <weight>656.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T20:54:00Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:54:00Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1CCC(C(C1)OC(=O)C2CN(CCN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C(C)C</moldb-smiles>
  <moldb-formula>C35H48N2O10</moldb-formula>
  <moldb-inchi>InChI=1S/C35H48N2O10/c1-20(2)24-11-10-21(3)14-26(24)47-35(40)25-19-36(33(38)22-15-27(41-4)31(45-8)28(16-22)42-5)12-13-37(25)34(39)23-17-29(43-6)32(46-9)30(18-23)44-7/h15-18,20-21,24-26H,10-14,19H2,1-9H3</moldb-inchi>
  <moldb-inchikey>CLWISFKUJSYGNP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">656.3308957</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM349694</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304083</sync-id>
  <structure-inchikey>CLWISFKUJSYGNP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000400000000000000000000000000000000000000020440000403000080000000400000000000000000000000800201000100000004000000012000000000000000000000000000020000000020100000000001000000000000002010000000040000000100000000000060100000000000000000800100000000040000000000000000220000800000000000000480000000000000000000800040004000000000008084000000000000000800000008000008000000080000000000004010000000000000000000000000000000000000000000000000000002000000000000040100800000400000000000020000000004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7014c02085328e70c9801b6181b8a3801a00149081172070803d20408a34e84c6c620050138000480100492800c00000046003a5c08d3225016e653980a24014c7118c811a80160000901260127203000804c58051211fb74004146244224b258c28452f084c9220400c1480ddf4004d308680520125e5063198244002511a06504418184ef0820a08070250c82c0288391d985244429e8a502708206040848409d310b310b2c2300a044d68057d35144ac106038941084010904ab04cc00212a01010a49cd90333198086a4575142990c050010036078428d7112802801030490384d341889092013480003d99620861250043094c2042e1300918052480206</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������/���2���€���`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������`�������`�������(�������(�������(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�������(�������(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�������`�������`�������`����������������������������� �	(��
�
�������������� ��(��� ��h���h���h���h���h��� ����� ����� ����� ��(��   !h�!"h�"#h�#$h�$%h�$&amp; &amp;'�#( ()�"* *+��,�,-�,.�����
���h�% h�B����������������
��������!"#$% ����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:35Z</structure-indexed-at>
</compound>
