N-[4-({3-[3-(propan-2-yloxy)benzoyl]piperidin-1-yl}methyl)phenyl]acetamide

• ChemBase ID: 628963
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C(=O)(C1CN(Cc2ccc(NC(=O)C)cc2)CCC1)c1cc(OC(C)C)ccc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCCC(C1)C(=O)c1cccc(c1)OC(C)C
• InChI: InChI=1S/C24H30N2O3/c1-17(2)29-23-8-4-6-20(14-23)24(28)21-7-5-13-26(16-21)15-19-9-11-22(12-10-19)25-18(3)27/h4,6,8-12,14,17,21H,5,7,13,15-16H2,1-3H3,(H,25,27)
• InChIKey: WDHRUFJWEVUITB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({3-[3-(propan-2-yloxy)benzoyl]piperidin-1-yl}methyl)phenyl]acetamide
• IUPAC Traditional name: N-(4-{[3-(3-isopropoxybenzoyl)piperidin-1-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[3-(3-isopropoxybenzoyl)-1-piperidinyl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.350677
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2085046
• LogD (pH = 7.4): 2.9794908
• Log P: 3.7513218
• Molar Refractivity: 117.1393 cm^3
• Polarizability: 44.743004 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.21
• LOG S: -4.66
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6