6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one

• ChemBase ID: 824356
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: N1(C(=O)C2NC(=O)CNC2)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C1CNCC(N1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c26-20-15-23-14-19(24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,26)
• InChIKey: XBWFSWCKJSKMKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
• IUPAC Traditional name: 6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
• Synonyms: 6-[(3,3-diphenylpiperidin-1-yl)carbonyl]piperazin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.315391
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.82443166
• LogD (pH = 7.4): 1.6852721
• Log P: 1.7216102
• Molar Refractivity: 114.6695 cm^3
• Polarizability: 40.822544 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.57
• LOG S: -3.0
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 3