1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

• ChemBase ID: 693374
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(oc(nn1)C1CC1)N1CCC(C(=O)NCc2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C19H24N4O3/c1-25-16-6-2-13(3-7-16)12-20-17(24)14-8-10-23(11-9-14)19-22-21-18(26-19)15-4-5-15/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,20,24)
• InChIKey: LBFFVBCDPCXSGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
• Synonyms: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxybenzyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.744139
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7064859
• LogD (pH = 7.4): 1.7064862
• Log P: 1.7064863
• Molar Refractivity: 98.902 cm^3
• Polarizability: 36.80847 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.23
• LOG S: -4.04
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6