3-[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidine-3-carbonyl]pyridine

• ChemBase ID: 558857
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c1(oc(nn1)C1CC1)N1CC(C(=O)c2cnccc2)CCC1
• Canonical SMILES: O=C(c1cccnc1)C1CCCN(C1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C16H18N4O2/c21-14(12-3-1-7-17-9-12)13-4-2-8-20(10-13)16-19-18-15(22-16)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2
• InChIKey: HBCSTTRJYIOCAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidine-3-carbonyl]pyridine
• IUPAC Traditional name: 3-[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidine-3-carbonyl]pyridine
• Synonyms: [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl](pyridin-3-yl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.696027
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4079417
• LogD (pH = 7.4): 1.4153299
• Log P: 1.4154251
• Molar Refractivity: 82.6135 cm^3
• Polarizability: 30.399153 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.03
• LOG S: -3.09
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4