5-methoxy-2-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,4-dihydropyridin-4-one

• ChemBase ID: 790142
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C15H20N2O4/c1-20-13-10-16-11(9-12(13)18)14(19)17-6-4-15(5-7-17)3-2-8-21-15/h9-10H,2-8H2,1H3,(H,16,18)
• InChIKey: UUSLZFVTBFXIOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,4-dihydropyridin-4-one
• IUPAC Traditional name: 5-methoxy-2-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1H-pyridin-4-one
• Synonyms: 5-methoxy-2-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-4(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.248411
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.30153143
• LogD (pH = 7.4): -0.30727732
• Log P: -0.30145702
• Molar Refractivity: 79.162 cm^3
• Polarizability: 29.546947 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.26
• LOG S: -1.57
• Polar Surface Area: 71.63 Å^2
• Rotatable Bonds: 2