3-methoxy-1-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 499092
• Molecular Formular: C18H24N4O5
• Molecular Mass: 376.40696
• Monoisotopic Mass: 376.17466989
• SMILES: c1(nc(no1)CCOC)C1N(C(=O)Cn2c(=O)c(ccc2)OC)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1C(=O)Cn1cccc(c1=O)OC
• InChI: InChI=1S/C18H24N4O5/c1-25-11-8-15-19-17(27-20-15)13-6-3-4-10-22(13)16(23)12-21-9-5-7-14(26-2)18(21)24/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3
• InChIKey: MBQZOCSWHAZSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-methoxy-1-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)pyridin-2-one
• Synonyms: 3-methoxy-1-(2-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.173378
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.6528628
• LogD (pH = 7.4): 0.6528628
• Log P: 0.6528628
• Molar Refractivity: 99.581 cm^3
• Polarizability: 36.810738 Å^3
• Polar Surface Area: 98.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.06
• LOG S: -3.2
• Polar Surface Area: 99.69 Å^2
• Rotatable Bonds: 7