1-benzoyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

• ChemBase ID: 862632
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(oc(nn1)CCC)NC1CCN(C(=O)c2ccccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)NC1CCN(CC1)C(=O)c1ccccc1
• InChI: InChI=1S/C17H22N4O2/c1-2-6-15-19-20-17(23-15)18-14-9-11-21(12-10-14)16(22)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,20)
• InChIKey: NIXFNCYGZSOFOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-benzoyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• Synonyms: 1-benzoyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.402787
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4877547
• LogD (pH = 7.4): 1.4877168
• Log P: 1.4877578
• Molar Refractivity: 90.7121 cm^3
• Polarizability: 32.94676 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.36
• LOG S: -2.65
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5