<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339713</id>
  <title nil="true"/>
  <common-name>4-[2-[[2-methyl-1-(2-piperidin-1-ylphenyl)prop-1-enyl]amino]-2-oxoethyl]benzoic acid</common-name>
  <description>4-[2-[[2-methyl-1-(2-piperidin-1-ylphenyl)prop-1-enyl]amino]-2-oxoethyl]benzoic acid is a chemical compound with the formula C24H28N2O3. It has an average molecular weight of 392.50 g/mol.</description>
  <cas>89605-73-2</cas>
  <pubchem-id>3021472</pubchem-id>
  <chemical-formula>C24H28N2O3</chemical-formula>
  <weight>392.5</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">2026-08-30T23:05:32Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:05:32Z</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>CC(=C(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O)C</moldb-smiles>
  <moldb-formula>C24H28N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28N2O3/c1-17(2)23(20-8-4-5-9-21(20)26-14-6-3-7-15-26)25-22(27)16-18-10-12-19(13-11-18)24(28)29/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,25,27)(H,28,29)</moldb-inchi>
  <moldb-inchikey>BKVSYKZAWHDDGJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">392.2099928</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM335606</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>4-[2-[[2-methyl-1-(2-piperidin-1-ylphenyl)prop-1-enyl]amino]-2-oxoethyl]benzoic acid</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>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Phenylpiperidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290131</sync-id>
  <structure-inchikey>BKVSYKZAWHDDGJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000004000000000800000200080000000000102000000000000010000000000000000000200040000000000000004000100000000000080000000000000000000000000000000000000000000000020000000800000000000200000000000000000010000000000000000000000000040020100000000000000000000400800000040000000800000010000200080001000000100000000000000000000000100000000040000000004084000000000000001000000008000000000000000000000000000000000000000010000000000004000000000000220000000000000000000000000000040000002000400000000000000000102000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`�������`�������`�������`�������h��������(�������(�������`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h��������`�����������(��� ��h���h���h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:40:09Z</structure-indexed-at>
</compound>
