3-(3,3-diphenylpiperidine-1-carbonyl)piperidin-2-one

• ChemBase ID: 694404
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: C(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)C1C(=O)NCCC1
• Canonical SMILES: O=C1NCCCC1C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N2O2/c26-21-20(13-7-15-24-21)22(27)25-16-8-14-23(17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H,24,26)
• InChIKey: NVJXLEBMCCJQDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,3-diphenylpiperidine-1-carbonyl)piperidin-2-one
• IUPAC Traditional name: 3-(3,3-diphenylpiperidine-1-carbonyl)piperidin-2-one
• Synonyms: 3-[(3,3-diphenylpiperidin-1-yl)carbonyl]piperidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.326393
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1009955
• LogD (pH = 7.4): 3.100995
• Log P: 3.1009955
• Molar Refractivity: 116.4623 cm^3
• Polarizability: 41.1406 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.39
• LOG S: -5.18
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3