N-(4-acetylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide

• ChemBase ID: 747483
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C(=O)(N1CC(C(=O)Cc2ccccc2)CCC1)Nc1ccc(C(=O)C)cc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)Nc1ccc(cc1)C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C22H24N2O3/c1-16(25)18-9-11-20(12-10-18)23-22(27)24-13-5-8-19(15-24)21(26)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,23,27)
• InChIKey: QDFUEOYCZHFNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-acetylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
• Synonyms: N-(4-acetylphenyl)-3-(phenylacetyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.862144
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2753937
• LogD (pH = 7.4): 3.2753923
• Log P: 3.2753937
• Molar Refractivity: 106.2948 cm^3
• Polarizability: 40.06209 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.6
• LOG S: -4.08
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 5