4-(3,3-diphenylpiperidine-1-carbonyl)-1-methylimidazolidin-2-one

• ChemBase ID: 383044
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: C1(NC(=O)N(C1)C)C(=O)N1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)C1NC(=O)N(C1)C
• InChI: InChI=1S/C22H25N3O2/c1-24-15-19(23-21(24)27)20(26)25-14-8-13-22(16-25,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,23,27)
• InChIKey: VLFOWDKDYOGEMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,3-diphenylpiperidine-1-carbonyl)-1-methylimidazolidin-2-one
• IUPAC Traditional name: 4-(3,3-diphenylpiperidine-1-carbonyl)-1-methylimidazolidin-2-one
• Synonyms: 4-[(3,3-diphenylpiperidin-1-yl)carbonyl]-1-methylimidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.704813
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3269663
• LogD (pH = 7.4): 2.326966
• Log P: 2.3269663
• Molar Refractivity: 115.0053 cm^3
• Polarizability: 40.428997 Å^3
• Polar Surface Area: 52.65 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: 3.17
• LOG S: -3.76
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3