3-({[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]oxy}methyl)pyridine

• ChemBase ID: 502857
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(oc(nn1)CCC)N1CC(OCc2cnccc2)CCC1
• Canonical SMILES: CCCc1nnc(o1)N1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C16H22N4O2/c1-2-5-15-18-19-16(22-15)20-9-4-7-14(11-20)21-12-13-6-3-8-17-10-13/h3,6,8,10,14H,2,4-5,7,9,11-12H2,1H3
• InChIKey: FZVDJZURVCJNGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]oxy}methyl)pyridine
• IUPAC Traditional name: 3-({[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]oxy}methyl)pyridine
• Synonyms: 3-({[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]oxy}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8803897
• LogD (pH = 7.4): 1.939713
• Log P: 1.9405384
• Molar Refractivity: 85.2645 cm^3
• Polarizability: 31.74439 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.05
• LOG S: -1.0
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 6