8-[(1r,4r)-4-methylcyclohexanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 717463
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)[C@@H]1CC[C@H](CC1)C
• Canonical SMILES: C[C@@H]1CC[C@H](CC1)C(=O)N1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C16H26N2O2/c1-12-2-4-13(5-3-12)15(20)18-8-6-16(7-9-18)10-14(19)17-11-16/h12-13H,2-11H2,1H3,(H,17,19)/t12-,13-
• InChIKey: NFBZFHMVTQUWRX-JOCQHMNTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1r,4r)-4-methylcyclohexanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(1r,4r)-4-methylcyclohexanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(trans-4-methylcyclohexyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.60961
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0338824
• LogD (pH = 7.4): 1.0338837
• Log P: 1.0338837
• Molar Refractivity: 77.6745 cm^3
• Polarizability: 30.43537 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.2
• LOG S: -2.71
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1