N-(4-{[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]methyl}phenyl)acetamide

• ChemBase ID: 434269
• Molecular Formular: C23H28N2O4
• Molecular Mass: 396.47942
• Monoisotopic Mass: 396.20490739
• SMILES: C(=O)(C1CN(Cc2ccc(NC(=O)C)cc2)CCC1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)C1CCCN(C1)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C23H28N2O4/c1-16(26)24-20-9-6-17(7-10-20)14-25-12-4-5-19(15-25)23(27)18-8-11-21(28-2)22(13-18)29-3/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,24,26)
• InChIKey: FJQPSVZXPSWAEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[3-(3,4-dimethoxybenzoyl)-1-piperidinyl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.352253
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.32532403
• LogD (pH = 7.4): 2.09242
• Log P: 2.8202677
• Molar Refractivity: 114.4351 cm^3
• Polarizability: 43.574284 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.05
• LOG S: -3.6
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5