1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-3-yl)piperidin-4-ol

• ChemBase ID: 354113
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(oc(nn1)CCC)N1CCC(CC1)(c1cnccc1)O
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)(O)c1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-2-4-13-17-18-14(21-13)19-9-6-15(20,7-10-19)12-5-3-8-16-11-12/h3,5,8,11,20H,2,4,6-7,9-10H2,1H3
• InChIKey: IUMVRGQCNLNBGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-3-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-3-yl)piperidin-4-ol
• Synonyms: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-pyridin-3-ylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785486
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7092969
• LogD (pH = 7.4): 0.7630361
• Log P: 0.7637776
• Molar Refractivity: 80.6237 cm^3
• Polarizability: 29.838129 Å^3
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.23
• LOG S: -1.5
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4