N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxamide

• ChemBase ID: 848860
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: C(=O)(C1CN(C2CCN(CC2)C)CCC1)N(C1CC1)C/C=C/c1ccccc1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)N(C1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C24H35N3O/c1-25-17-13-22(14-18-25)26-15-6-10-21(19-26)24(28)27(23-11-12-23)16-5-9-20-7-3-2-4-8-20/h2-5,7-9,21-23H,6,10-19H2,1H3/b9-5+
• InChIKey: SSTPJSHWZPXEMP-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2610173
• LogD (pH = 7.4): 0.010474197
• Log P: 2.8863566
• Molar Refractivity: 117.4251 cm^3
• Polarizability: 45.41677 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.24
• LOG S: -4.75
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6