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

• ChemBase ID: 524249
• Molecular Formular: C16H25N3O2
• Molecular Mass: 291.3886
• Monoisotopic Mass: 291.19467706
• SMILES: N1(C(=O)CC2(C1)CCCCC2)Cc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1CN1CC2(CC1=O)CCCCC2
• InChI: InChI=1S/C16H25N3O2/c1-21-8-7-18-13-17-10-14(18)11-19-12-16(9-15(19)20)5-3-2-4-6-16/h10,13H,2-9,11-12H2,1H3
• InChIKey: WDJOVZHCJUISNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4882203
• LogD (pH = 7.4): 0.9284316
• Log P: 0.9597253
• Molar Refractivity: 81.4102 cm^3
• Polarizability: 31.451424 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.7
• LOG S: -1.92
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5