4-(3,3-diphenylpiperidine-1-carbonyl)-1-(propan-2-yl)pyrrolidin-2-one

• ChemBase ID: 549696
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: C1(C(=O)N2CC(c3ccccc3)(c3ccccc3)CCC2)CN(C(=O)C1)C(C)C
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)C1CC(=O)N(C1)C(C)C
• InChI: InChI=1S/C25H30N2O2/c1-19(2)27-17-20(16-23(27)28)24(29)26-15-9-14-25(18-26,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,19-20H,9,14-18H2,1-2H3
• InChIKey: ASSNMPOGUNSKAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2974586
• LogD (pH = 7.4): 3.297459
• Log P: 3.297459
• Molar Refractivity: 125.7196 cm^3
• Polarizability: 44.828773 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.87
• LOG S: -5.09
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4