N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide

• ChemBase ID: 340097
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)CNC(=O)C(C)C
• Canonical SMILES: O=C(C(C)C)NCC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H28N2O2/c1-18(2)22(27)24-16-21(26)25-15-9-14-23(17-25,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18H,9,14-17H2,1-2H3,(H,24,27)
• InChIKey: ZTIUEVOSCJDUMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
• IUPAC Traditional name: N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
• Synonyms: N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.297853
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4162505
• LogD (pH = 7.4): 3.41625
• Log P: 3.4162505
• Molar Refractivity: 117.9603 cm^3
• Polarizability: 41.87383 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.9
• LOG S: -5.05
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5