2-(3,4-dimethoxyphenyl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 537511
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)CC(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H32N2O3/c1-28-22-13-12-20(16-23(22)29-2)17-24(27)25-21-11-7-15-26(18-21)14-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,21H,6-7,10-11,14-15,17-18H2,1-2H3,(H,25,27)
• InChIKey: VYKSMKPWLBJDEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-(3,4-dimethoxyphenyl)-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5351925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6377136
• LogD (pH = 7.4): 2.3466897
• Log P: 3.654297
• Molar Refractivity: 116.2098 cm^3
• Polarizability: 45.308064 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.83
• LOG S: -4.24
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7