7-(2-methoxyethyl)-2-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 701461
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)c2cc(=O)n(cc2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1ccn(c(=O)c1)C
• InChI: InChI=1S/C18H25N3O4/c1-19-8-4-14(12-15(19)22)16(23)21-9-6-18(13-21)5-3-7-20(17(18)24)10-11-25-2/h4,8,12H,3,5-7,9-11,13H2,1-2H3
• InChIKey: XELCJZSVGRWPFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[(1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7790664
• LogD (pH = 7.4): -0.77906513
• Log P: -0.77906513
• Molar Refractivity: 94.2132 cm^3
• Polarizability: 35.584938 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.05
• LOG S: -2.15
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 4