1-cyclopropanecarbonyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide

• ChemBase ID: 816772
• Molecular Formular: C14H20N4O3
• Molecular Mass: 292.3336
• Monoisotopic Mass: 292.15354052
• SMILES: n1nc(oc1CNC(=O)C1CCN(C(=O)C2CC2)CC1)C
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CC1)NCc1nnc(o1)C
• InChI: InChI=1S/C14H20N4O3/c1-9-16-17-12(21-9)8-15-13(19)10-4-6-18(7-5-10)14(20)11-2-3-11/h10-11H,2-8H2,1H3,(H,15,19)
• InChIKey: HBEUIKDGSAQMRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopropylcarbonyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.539162
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4111522
• LogD (pH = 7.4): -1.4111546
• Log P: -1.4111519
• Molar Refractivity: 76.0652 cm^3
• Polarizability: 28.525637 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.99
• LOG S: -1.8
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4