4-methoxy-N,3-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 422677
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)c1cc(c(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1C)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C24H32N2O2/c1-19-17-21(13-14-23(19)28-3)24(27)25(2)22-12-8-16-26(18-22)15-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,22H,7-8,11-12,15-16,18H2,1-3H3
• InChIKey: GAUOQPUROBYUMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N,3-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 4-methoxy-N,3-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• Synonyms: 4-methoxy-N,3-dimethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5104706
• LogD (pH = 7.4): 3.2008061
• Log P: 4.5689006
• Molar Refractivity: 115.6331 cm^3
• Polarizability: 44.34925 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.88
• LOG S: -4.63
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6