<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308489</id>
  <title nil="true"/>
  <common-name>1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one</common-name>
  <description>1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C17H23FN2O2 and an average molecular weight of 306.37 g/mol. The compound is further classified as part of the organic oxygen compounds superclass.</description>
  <cas nil="true"/>
  <pubchem-id>3044062</pubchem-id>
  <chemical-formula>C17H23FN2O2</chemical-formula>
  <weight>306.37</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">2026-08-29T02:53:37Z</created-at>
  <updated-at type="dateTime">2026-08-29T02:53:37Z</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>CCC(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F</moldb-smiles>
  <moldb-formula>C17H23FN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H23FN2O2/c1-2-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3</moldb-inchi>
  <moldb-inchikey>ITVOKEVXSQSIGH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">306.1743561</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM304382</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-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0259513</sync-id>
  <structure-inchikey>ITVOKEVXSQSIGH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2880200000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000002400000000001000000000000000800000000001000000000000000000000020000002010000000000000000004004000000006000000000000000000000400000000000000000000000000000000000000000000000000000000008400000200000000010000000a000000000000000000008000004000000200000000000020000044000000000000200000000010000000000000000000040000000010400800000000000000000004000000004</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������`������� ������`�������`�������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h������	� �������������(��� �������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:16:24Z</structure-indexed-at>
</compound>
