1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(pyridin-4-yl)ethan-1-one

• ChemBase ID: 403514
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: n1c(noc1C)C1CCN(C(=O)Cc2ccncc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)c1noc(n1)C)Cc1ccncc1
• InChI: InChI=1S/C15H18N4O2/c1-11-17-15(18-21-11)13-4-8-19(9-5-13)14(20)10-12-2-6-16-7-3-12/h2-3,6-7,13H,4-5,8-10H2,1H3
• InChIKey: XVNOOIDAKBPGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(pyridin-4-yl)ethan-1-one
• IUPAC Traditional name: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(pyridin-4-yl)ethanone
• Synonyms: 4-{2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7089992
• LogD (pH = 7.4): 0.8215559
• Log P: 0.82325214
• Molar Refractivity: 78.3017 cm^3
• Polarizability: 29.296314 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.01
• LOG S: -1.29
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3