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

• ChemBase ID: 647511
• Molecular Formular: C15H26N4O2
• Molecular Mass: 294.39254
• Monoisotopic Mass: 294.20557609
• SMILES: c1(oc(nn1)CCC)N1CC(CN2CCOCC2)CCC1
• Canonical SMILES: CCCc1nnc(o1)N1CCCC(C1)CN1CCOCC1
• InChI: InChI=1S/C15H26N4O2/c1-2-4-14-16-17-15(21-14)19-6-3-5-13(12-19)11-18-7-9-20-10-8-18/h13H,2-12H2,1H3
• InChIKey: FQNRWMDEFILHBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.33537585
• LogD (pH = 7.4): 1.1291198
• Log P: 1.3256118
• Molar Refractivity: 83.7989 cm^3
• Polarizability: 31.221527 Å^3
• Polar Surface Area: 54.63 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: 0.56
• LOG S: -0.82
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5