7-(2-methoxyethyl)-2-{2-[methyl(pyridin-3-ylmethyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 862675
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)CN(Cc2cnccc2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)CN(Cc1cccnc1)C
• InChI: InChI=1S/C20H30N4O3/c1-22(14-17-5-3-8-21-13-17)15-18(25)24-10-7-20(16-24)6-4-9-23(19(20)26)11-12-27-2/h3,5,8,13H,4,6-7,9-12,14-16H2,1-2H3
• InChIKey: GVKRPPXVBNXUOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{2-[methyl(pyridin-3-ylmethyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-{2-[methyl(pyridin-3-ylmethyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[N-methyl-N-(3-pyridinylmethyl)glycyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5371951
• LogD (pH = 7.4): -0.36470702
• Log P: -0.2797035
• Molar Refractivity: 103.8004 cm^3
• Polarizability: 40.24107 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.39
• LOG S: -0.96
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7