2-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-2-azaspiro[4.5]decan-3-one

• ChemBase ID: 702183
• Molecular Formular: C16H23N3O
• Molecular Mass: 273.37332
• Monoisotopic Mass: 273.18411237
• SMILES: n1(c(CN2C(=O)CC3(C2)CCCCC3)cnc1)C1CC1
• Canonical SMILES: O=C1CC2(CN1Cc1cncn1C1CC1)CCCCC2
• InChI: InChI=1S/C16H23N3O/c20-15-8-16(6-2-1-3-7-16)11-18(15)10-14-9-17-12-19(14)13-4-5-13/h9,12-13H,1-8,10-11H2
• InChIKey: ZIVIKHULWFUKJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-2-azaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3-cyclopropylimidazol-4-yl)methyl]-2-azaspiro[4.5]decan-3-one
• Synonyms: 2-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-2-azaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0030987
• LogD (pH = 7.4): 1.4417009
• Log P: 1.4722654
• Molar Refractivity: 77.5779 cm^3
• Polarizability: 30.021635 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.27
• LOG S: -2.28
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3