1-(3-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 752062
• Molecular Formular: C16H22N2O3
• Molecular Mass: 290.35748
• Monoisotopic Mass: 290.16304257
• SMILES: n1(c(=O)cccc1)CCC(=O)N1CCC2(OCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCCO2)CCn1ccccc1=O
• InChI: InChI=1S/C16H22N2O3/c19-14-4-1-2-9-17(14)10-5-15(20)18-11-7-16(8-12-18)6-3-13-21-16/h1-2,4,9H,3,5-8,10-13H2
• InChIKey: KPQXOKXPIJSNJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(3-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)pyridin-2-one
• Synonyms: 1-[3-(1-oxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.11330431
• LogD (pH = 7.4): -0.1133042
• Log P: -0.11330419
• Molar Refractivity: 81.2477 cm^3
• Polarizability: 30.657387 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.25
• LOG S: -2.84
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 3