7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 430474
• Molecular Formular: C21H33N3O3
• Molecular Mass: 375.50502
• Monoisotopic Mass: 375.25219193
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)CN2C(=O)CCCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)CN1CCCCCC1=O
• InChI: InChI=1S/C21H33N3O3/c25-18-9-2-1-5-12-22(18)15-19(26)23-14-11-21(16-23)10-6-13-24(20(21)27)17-7-3-4-8-17/h17H,1-16H2
• InChIKey: UILFFOBMPXXSNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-[(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.468504
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9582058
• LogD (pH = 7.4): 0.9582078
• Log P: 0.95820785
• Molar Refractivity: 103.0829 cm^3
• Polarizability: 40.141186 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.95
• LOG S: -3.6
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 3