4-(3,3-diphenylpiperidine-1-carbonyl)-1-ethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 417876
• Molecular Formular: C25H26N2O2
• Molecular Mass: 386.48614
• Monoisotopic Mass: 386.19942808
• SMILES: N1(C(=O)c2cc(=O)n(cc2)CC)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H26N2O2/c1-2-26-17-14-20(18-23(26)28)24(29)27-16-9-15-25(19-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-14,17-18H,2,9,15-16,19H2,1H3
• InChIKey: WGGTUAQFGYUUKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.533756
• LogD (pH = 7.4): 3.533757
• Log P: 3.533757
• Molar Refractivity: 127.0015 cm^3
• Polarizability: 44.35282 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: 3.44
• LOG S: -5.74
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 4