<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">322044</id>
  <title nil="true"/>
  <common-name>2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone</common-name>
  <description>2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone is a chemical compound with the formula C20H21NO3. It has an average molecular weight of 323.40 g/mol.</description>
  <cas>42017-83-4</cas>
  <pubchem-id>3038920</pubchem-id>
  <chemical-formula>C20H21NO3</chemical-formula>
  <weight>323.4</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">2026-08-29T21:52:29Z</created-at>
  <updated-at type="dateTime">2026-08-29T21:52:29Z</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>C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C20H21NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2</moldb-inchi>
  <moldb-inchikey>KQYSIFIPXCMPLJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">323.1521435</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM317937</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>2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzophenones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272754</sync-id>
  <structure-inchikey>KQYSIFIPXCMPLJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20400000000000000000800002400000000000000000000000000002000000000000000000000000200000000000400004000000000000000000000000000000000000000000000000000000000000000020000000000100000200000000008000000000010000000000000000000000000000020100000000000000000040000800000000000000800000000000000000000000000100000000000000000000000000000000000000000000084000000000000000080000008000000000000000000000000000000000000000000000000000004000000000000200000100000080000000000000000040010000000400000000000000004002084000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������`�������`�������(�������(�������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@h�������@h�������@h�������@h�������@h������������������������ ��(�����	�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:41Z</structure-indexed-at>
</compound>
