<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298566</id>
  <title nil="true"/>
  <common-name>(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxybut-3-ynoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>13371162</pubchem-id>
  <chemical-formula>C15H23NO3</chemical-formula>
  <weight>265.35</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">2026-08-28T14:57:13Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:57:13Z</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>CN1CCC(CC1)OC(=O)C(C#C)(C2CCCC2)O</moldb-smiles>
  <moldb-formula>C15H23NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C15H23NO3/c1-3-15(18,12-6-4-5-7-12)14(17)19-13-8-10-16(2)11-9-13/h1,12-13,18H,4-11H2,2H3</moldb-inchi>
  <moldb-inchikey>VCWICUKEPYKJAH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">265.1677936</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM294459</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>(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxybut-3-ynoate</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0249907</sync-id>
  <structure-inchikey>VCWICUKEPYKJAH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000002100000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000020000020000100000000000000000000000001010000000000000000001020000010020100000100020000400000100800000040000000088040000200004000000000000000000001080000008000000000000004000000000000000000002000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������(�������(�������(������� ������(�������h��������`�������`�������`�������`�������`�������`����������������������������� �	(��
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  <structure-indexed-at type="dateTime">2026-09-19T05:09:07Z</structure-indexed-at>
</compound>
