<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">318019</id>
  <title nil="true"/>
  <common-name>3-[5-(4-chlorophenyl)furan-2-yl]-1-(2-methylpiperidin-1-yl)propan-1-one</common-name>
  <description>3-[5-(4-chlorophenyl)furan-2-yl]-1-(2-methylpiperidin-1-yl)propan-1-one is a chemical compound with the formula C19H22ClNO2. It has an average molecular weight of 331.80 g/mol.</description>
  <cas>853312-29-5</cas>
  <pubchem-id>24212547</pubchem-id>
  <chemical-formula>C19H22ClNO2</chemical-formula>
  <weight>331.8</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">2026-08-29T16:14:31Z</created-at>
  <updated-at type="dateTime">2026-08-29T16:14:31Z</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>CC1CCCCN1C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C19H22ClNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H22ClNO2/c1-14-4-2-3-13-21(14)19(22)12-10-17-9-11-18(23-17)15-5-7-16(20)8-6-15/h5-9,11,14H,2-4,10,12-13H2,1H3</moldb-inchi>
  <moldb-inchikey>UGTKXERFWCSHEX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">331.1339066</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM313912</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>3-[5-(4-chlorophenyl)furan-2-yl]-1-(2-methylpiperidin-1-yl)propan-1-one</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>N-acylpiperidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0268828</sync-id>
  <structure-inchikey>UGTKXERFWCSHEX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000040000000000000000040000080000022200002000000000000000000000000000000000000000000000000000000000000000008000000400000000000000000000020800000000000000000020000400000000000010080000000000040000020800000020100000000000000000040100800000040020000000000002000000000800000000000000000001000000400000000040004000000000000080000000000000000000000008000000000000000000008400000000800000000000000000010000000010000000200000000002000000000000000000040000000000400024000000000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������@(������@h�������@h�������@(������@(������@(������@h�������@h�������@(������@h�������@h�������� ������������������������� ��(��	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:23:40Z</structure-indexed-at>
</compound>
