321522 <common-name>(4-benzoyl-1-methylpiperidin-3-yl) 2-bromobenzoate</common-name> <description>(4-benzoyl-1-methylpiperidin-3-yl) 2-bromobenzoate is a chemical compound with the formula C20H20BrNO3. It has an average molecular weight of 402.30 g/mol.</description> <cas nil="true"/> <pubchem-id>36467</pubchem-id> <chemical-formula>C20H20BrNO3</chemical-formula> <weight>402.3</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">2026-08-29T21:02:57Z</created-at> <updated-at type="dateTime">2026-08-29T21:02:57Z</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>CN1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C20H20BrNO3</moldb-formula> <moldb-inchi>InChI=1S/C20H20BrNO3/c1-22-12-11-16(19(23)14-7-3-2-4-8-14)18(13-22)25-20(24)15-9-5-6-10-17(15)21/h2-10,16,18H,11-13H2,1H3</moldb-inchi> <moldb-inchikey>KLJLTGVZCWFNPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">401.06266</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM317415</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>(4-benzoyl-1-methylpiperidin-3-yl) 2-bromobenzoate</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>CED0272240</sync-id> <structure-inchikey>KLJLTGVZCWFNPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80004000000400000000040000000000040000000000000014000000000000000000000020000000000000000000004000000000000000000000000000000000000000000000000000000001000000020000000000100000000801200000000000002010000004000000000000000004000020100000000000000400000100000000040000000800000000200004000000000000100000000000000000000000000000004000000000000084000000000000001000000008010000000000000000000000000000000000100000000000000000004040000000200000010000000000000000000000040000000000400000000000000004100000000000400</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAwEGAGAAAAACAggAKAAA AAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQjACAAAAABBgAoAAAAAwQIACgA AAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBCwABAAECAAIDAAMEAAQFAAUGAAUHAAcIIAgJKAIICiAK C2gMCwxoDAwNaAwNDmgMDg9oDA8QAAQRABESKAIREyATFGgMFBVoDBUWaAwW F2gMFxhoDAYBAA8KaAwYE2gMQgMAAAAGAQYFBAMCBgsMDQ4PCgYUFRYXGBMX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:19Z</structure-indexed-at> </compound>