1-cyclopropanecarbonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-3-amine

• ChemBase ID: 626493
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: c1(oc(nn1)CC)NC1CN(C(=O)C2CC2)CCC1
• Canonical SMILES: CCc1nnc(o1)NC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C13H20N4O2/c1-2-11-15-16-13(19-11)14-10-4-3-7-17(8-10)12(18)9-5-6-9/h9-10H,2-8H2,1H3,(H,14,16)
• InChIKey: AZNVOYXPFFTNKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.835747
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42621064
• LogD (pH = 7.4): 0.42606258
• Log P: 0.42621386
• Molar Refractivity: 72.619 cm^3
• Polarizability: 26.570505 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.54
• LOG S: -1.97
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4