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

• ChemBase ID: 574538
• Molecular Formular: C16H28N4O
• Molecular Mass: 292.41972
• Monoisotopic Mass: 292.22631154
• SMILES: c1(oc(nn1)CCC)N1CCC(CC1)CCN1CCCC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)CCN1CCCC1
• InChI: InChI=1S/C16H28N4O/c1-2-5-15-17-18-16(21-15)20-12-7-14(8-13-20)6-11-19-9-3-4-10-19/h14H,2-13H2,1H3
• InChIKey: AHVIISUEPIVTIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1977684
• LogD (pH = 7.4): -0.4196263
• Log P: 2.274968
• Molar Refractivity: 87.0422 cm^3
• Polarizability: 32.348236 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.88
• LOG S: -1.93
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6