2-(1-methylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 519391
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: N1(C(=O)C2(C)CCCC2)CC2(C(=O)NCCC2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)C(=O)C1(C)CCCC1
• InChI: InChI=1S/C15H24N2O2/c1-14(5-2-3-6-14)13(19)17-10-8-15(11-17)7-4-9-16-12(15)18/h2-11H2,1H3,(H,16,18)
• InChIKey: BQJVVBWOTMILFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(1-methylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(1-methylcyclopentyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.78
• LOG S: -1.79
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• H Acceptors: 2
• H Donor: 1

JChem

• Molar Refractivity: 73.0777 cm^3
• Polarizability: 28.597538 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.632563
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3702418
• LogD (pH = 7.4): 1.3702446
• Log P: 1.3702446