5-[(3,3-diphenylpiperidin-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

• ChemBase ID: 857895
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: c1(nc(on1)CN1CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)NC
• Canonical SMILES: CNC(=O)c1noc(n1)CN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H24N4O2/c1-23-21(27)20-24-19(28-25-20)15-26-14-8-13-22(16-26,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,23,27)
• InChIKey: FAODWTZETPQKQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3,3-diphenylpiperidin-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
• IUPAC Traditional name: 5-[(3,3-diphenylpiperidin-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
• Synonyms: 5-[(3,3-diphenylpiperidin-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.636049
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6617701
• LogD (pH = 7.4): 3.2430997
• Log P: 3.5283093
• Molar Refractivity: 119.8759 cm^3
• Polarizability: 41.076008 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.44
• LOG S: -4.61
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5