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

• ChemBase ID: 582795
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(oc(nn1)CC)N1CCC(CC1)OCc1cnccc1
• Canonical SMILES: CCc1nnc(o1)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-2-14-17-18-15(21-14)19-8-5-13(6-9-19)20-11-12-4-3-7-16-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3
• InChIKey: RXNLUSPMQIHYPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9784172
• LogD (pH = 7.4): 1.0377414
• Log P: 1.0385668
• Molar Refractivity: 80.8843 cm^3
• Polarizability: 29.9095 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.59
• LOG S: -1.55
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5