N-ethyl-1-(2-methoxyacetyl)-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

• ChemBase ID: 578392
• Molecular Formular: C18H30N4O4
• Molecular Mass: 366.4552
• Monoisotopic Mass: 366.22670546
• SMILES: n1c(noc1CC(C)C)CN(C(=O)C1CCN(C(=O)COC)CC1)CC
• Canonical SMILES: COCC(=O)N1CCC(CC1)C(=O)N(Cc1noc(n1)CC(C)C)CC
• InChI: InChI=1S/C18H30N4O4/c1-5-21(11-15-19-16(26-20-15)10-13(2)3)18(24)14-6-8-22(9-7-14)17(23)12-25-4/h13-14H,5-12H2,1-4H3
• InChIKey: JYLJHUFWSGDXHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-(2-methoxyacetyl)-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide
• IUPAC Traditional name: N-ethyl-1-(2-methoxyacetyl)-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide
• Synonyms: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(methoxyacetyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.836779
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9516962
• LogD (pH = 7.4): 0.9516965
• Log P: 0.9516965
• Molar Refractivity: 98.4154 cm^3
• Polarizability: 37.284 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.73
• LOG S: -2.5
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 8