303420 <common-name>2-methyl-1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-1-one</common-name> <description>2-methyl-1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C16H23NO3S and an average molecular weight of 309.40 g/mol. This substance is classified as an organic oxygen compound.</description> <cas nil="true"/> <pubchem-id>3053165</pubchem-id> <chemical-formula>C16H23NO3S</chemical-formula> <weight>309.4</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">2026-08-28T20:41:40Z</created-at> <updated-at type="dateTime">2026-08-28T20:41:40Z</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>CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C</moldb-smiles> <moldb-formula>C16H23NO3S</moldb-formula> <moldb-inchi>InChI=1S/C16H23NO3S/c1-13(12-17-10-4-3-5-11-17)16(18)14-6-8-15(9-7-14)21(2,19)20/h6-9,13H,3-5,10-12H2,1-2H3</moldb-inchi> <moldb-inchikey>BQTIUXARJJFCEQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.1398648</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM299313</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>2-methyl-1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-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>CED0254611</sync-id> <structure-inchikey>BQTIUXARJJFCEQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000000800000000000000000000000000000000000000000000000001000000001000000020000000020000000000000000000000000000000000000000000000000000000000000000020000000000800001000080000000000000000010000000000000000000000000000020100000000000000000000000800010040800000000000000000000000000000080000000000000000000008000000000000000000000000484000000002000000000000088040000000000000000000000000000000000000000000100000004000000000000200800000010000000000000000000040000000000420000000000000000002000000000000</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�B������������� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:47Z</structure-indexed-at> </compound>