7-cyclopentyl-2-[1-(methoxymethyl)cyclobutanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 408013
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)C2(COC)CCC2)CC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C20H32N2O3/c1-25-15-20(8-4-9-20)17(23)21-13-11-19(14-21)10-5-12-22(18(19)24)16-6-2-3-7-16/h16H,2-15H2,1H3
• InChIKey: CSWSUGAWHIIEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-[1-(methoxymethyl)cyclobutanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-[1-(methoxymethyl)cyclobutanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-{[1-(methoxymethyl)cyclobutyl]carbonyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8664068
• LogD (pH = 7.4): 1.8664092
• Log P: 1.8664093
• Molar Refractivity: 96.3125 cm^3
• Polarizability: 37.772636 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.87
• LOG S: -3.34
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4