<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297870</id>
  <title nil="true"/>
  <common-name>5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidin-2-one</common-name>
  <description>5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidin-2-one belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the chemical formula C15H21N3O2 and an average molecular weight of 275.35 g/mol.</description>
  <cas>91703-12-7</cas>
  <pubchem-id>3021860</pubchem-id>
  <chemical-formula>C15H21N3O2</chemical-formula>
  <weight>275.35</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">2026-08-28T14:10:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:10:43Z</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>COC1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N3</moldb-smiles>
  <moldb-formula>C15H21N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21N3O2/c1-20-13-4-2-12(3-5-13)17-8-10-18(11-9-17)14-6-7-15(19)16-14/h2-5,14H,6-11H2,1H3,(H,16,19)</moldb-inchi>
  <moldb-inchikey>YJNXXQSTMMENPY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">275.1633769</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM293763</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>5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidin-2-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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0249240</sync-id>
  <structure-inchikey>YJNXXQSTMMENPY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000040000004000000000400a0200000000000000000000100000000000000000000000000000000000000000000000000000000000020000000010100000200000000000000040000000010010040000000000000000000020100000000000000000000100000000040000000000000200000000000000000000000000000000001000000000000002004000000000000080000040000000000000000008000000800000080000000010000000000000000000000000000000000000000a00200000000000000000040000002004040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000922064080000940010820000100040001052000003120c00200000c40060050008000000200410800800000042000b5c08c30010220643000a04000c6110c00021006000090100000620200000405805101103240000422000249000c200406004082002000040054140001200080500101c0047198022002710002004000180cd0820808820240082c0008111c0812444014020000080000400084084310001010c00000000940057c25100ac00000894108401801020008c00a10001000c404400022018000040401028010000000020050200d0000040800030010000812004000000000000240122000001000308242000e0008008050010406</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`������� ������`�������`�������`�������`�������`�������(�������(�������h������������ ��h���h���h���h���h��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:08:37Z</structure-indexed-at>
</compound>
