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

• ChemBase ID: 639392
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: n1c(onc1CNC(=O)C1CCN(C(=O)C2CC2)CC1)C1OCCC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CC1)NCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C17H24N4O4/c22-15(11-5-7-21(8-6-11)17(23)12-3-4-12)18-10-14-19-16(25-20-14)13-2-1-9-24-13/h11-13H,1-10H2,(H,18,22)
• InChIKey: IUJMVIIJBOOPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.721759
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.2541677
• LogD (pH = 7.4): 0.25416613
• Log P: 0.25416803
• Molar Refractivity: 89.6791 cm^3
• Polarizability: 34.106106 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.31
• LOG S: -1.93
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5