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

• ChemBase ID: 402203
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: n1c(onc1CCC)CN1CC(OCc2cnccc2)CCC1
• Canonical SMILES: CCCc1noc(n1)CN1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C17H24N4O2/c1-2-5-16-19-17(23-20-16)12-21-9-4-7-15(11-21)22-13-14-6-3-8-18-10-14/h3,6,8,10,15H,2,4-5,7,9,11-13H2,1H3
• InChIKey: XKWJKXKKHJBJRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1074986
• LogD (pH = 7.4): 2.2199225
• Log P: 2.282004
• Molar Refractivity: 89.1065 cm^3
• Polarizability: 33.959503 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.7
• LOG S: -1.91
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5