2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

• ChemBase ID: 653269
• Molecular Formular: C17H30N4O2
• Molecular Mass: 322.4457
• Monoisotopic Mass: 322.23687622
• SMILES: N1(CC(=O)N(Cc2nc(on2)CCC)CC)[C@@H](CCC[C@@H]1C)C
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)CN1[C@H](C)CCC[C@@H]1C)CC
• InChI: InChI=1S/C17H30N4O2/c1-5-8-16-18-15(19-23-16)11-20(6-2)17(22)12-21-13(3)9-7-10-14(21)4/h13-14H,5-12H2,1-4H3/t13-,14+
• InChIKey: LSDZYFQAWYZCBF-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• Synonyms: 2-[(2R*,6S*)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.03
• LOG S: -4.14
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 91.8245 cm^3
• Polarizability: 34.996696 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.16889942
• LogD (pH = 7.4): 1.943452
• Log P: 2.6427386