313352 <common-name>Ethyl 2-[4-[(e)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate</common-name> <description>Ethyl 2-[4-[(e)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate is a chemical compound with the formula C18H22N2O5. It has an average molecular weight of 346.40 g/mol.</description> <cas nil="true"/> <pubchem-id>6445260</pubchem-id> <chemical-formula>C18H22N2O5</chemical-formula> <weight>346.4</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">2026-08-29T10:06:21Z</created-at> <updated-at type="dateTime">2026-08-29T10:06:21Z</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>CCOC(=O)CN1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3</moldb-smiles> <moldb-formula>C18H22N2O5</moldb-formula> <moldb-inchi>InChI=1S/C18H22N2O5/c1-2-23-18(22)12-19-7-9-20(10-8-19)17(21)6-4-14-3-5-15-16(11-14)25-13-24-15/h3-6,11H,2,7-10,12-13H2,1H3/b6-4+</moldb-inchi> <moldb-inchikey>BLOBNGQNUDPMHS-GQCTYLIASA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.1528718</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM309245</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>Ethyl 2-[4-[(e)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0264263</sync-id> <structure-inchikey>BLOBNGQNUDPMHS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>41000000000020800000000000000010000000000000000000000000000000040002000000000000000000000000000000000000400000000000000000000000000000000000000000000000000020800008000300000000002000000000000000010000001000004400100000000000020100000000000000000000000010000040000000000000000000000000000000000000000000020000000000004000088000000004000000082000000000000000000000018000000000000000000000000004000000000000010004000000000000002000000200000000010080000000000000010040000000408400000000000000000000004000004040</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��� B������� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:05Z</structure-indexed-at> </compound>