1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 362029
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(oc(nn1)CCC)N1CCC(N2CCCC2)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C14H24N4O/c1-2-5-13-15-16-14(19-13)18-10-6-12(7-11-18)17-8-3-4-9-17/h12H,2-11H2,1H3
• InChIKey: NERWLSAXAJRVRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-(5-propyl-1,3,4-oxadiazol-2-yl)-4-pyrrolidin-1-ylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9159856
• LogD (pH = 7.4): -0.5714249
• Log P: 1.4477522
• Molar Refractivity: 77.5462 cm^3
• Polarizability: 28.671082 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.42
• LOG S: -1.33
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4