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

• ChemBase ID: 403257
• Molecular Formular: C18H28N4O4
• Molecular Mass: 364.43932
• Monoisotopic Mass: 364.2110554
• SMILES: n1c(onc1CCOC)CNC(=O)C1CCN(C(=O)C2CCCC2)CC1
• Canonical SMILES: COCCc1noc(n1)CNC(=O)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C18H28N4O4/c1-25-11-8-15-20-16(26-21-15)12-19-17(23)13-6-9-22(10-7-13)18(24)14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,19,23)
• InChIKey: BZUCGJMGRJINNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.7282095
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7356407
• LogD (pH = 7.4): 0.7356397
• Log P: 0.73564154
• Molar Refractivity: 96.2942 cm^3
• Polarizability: 36.5707 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.15
• LOG S: -3.29
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7