1-methyl-5-{2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}-1,2-dihydropyridin-2-one

• ChemBase ID: 532645
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: c1(C(=O)N2CCC3(CC(CN(C3)C)c3ccccc3)CC2)cn(c(=O)cc1)C
• Canonical SMILES: CN1CC(CC2(C1)CCN(CC2)C(=O)c1ccc(=O)n(c1)C)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-24-15-20(18-6-4-3-5-7-18)14-23(17-24)10-12-26(13-11-23)22(28)19-8-9-21(27)25(2)16-19/h3-9,16,20H,10-15,17H2,1-2H3
• InChIKey: FXGKSQNYTVNTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-{2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-methyl-5-{2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}pyridin-2-one
• Synonyms: 1-methyl-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)carbonyl]-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6969886
• LogD (pH = 7.4): -0.3155488
• Log P: 1.6512216
• Molar Refractivity: 112.66 cm^3
• Polarizability: 42.833668 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.71
• LOG S: -3.43
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 2