Adenocarpine

AlkaPlorer ID: AK041445

Synonym: '', 'Adenocarpine'

IUPAC Name: (E)-3-phenyl-1-[5-[(2S)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

Structure

SMILES: O=C(/C=C/C1=CC=CC=C1)N1C=C([C@@H]2CCCCN2)CCC1

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InChI: InChI=1S/C19H24N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,15,18,20H,4-6,9-10,13-14H2/b12-11+/t18-/m0/s1

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InChIKey: XNURMNJHFKSULV-DXRVJIQQSA-N

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Properties Information

Molecule Weight: 296.4140000000001

TPSA: 32.34

MolLogP: 3.348200000000002

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information