3,4-dimethoxy-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 828394
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C24H32N2O3/c1-25(24(27)20-13-14-22(28-2)23(17-20)29-3)21-12-8-16-26(18-21)15-7-11-19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21H,7-8,11-12,15-16,18H2,1-3H3
• InChIKey: AFQAUGREIPECAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 4.06
• LOG S: -3.76

JChem

• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.86813223
• LogD (pH = 7.4): 2.5716379
• Log P: 3.8978078
• Molar Refractivity: 117.0551 cm^3
• Polarizability: 45.089268 Å^3
• Polar Surface Area: 42.01 Å^2