N-[(3-chlorophenyl)methyl]-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propanamide

• ChemBase ID: 823250
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: c1(nc(on1)CC)N1CCC(CC1)CCC(=O)NCc1cc(Cl)ccc1
• Canonical SMILES: CCc1onc(n1)N1CCC(CC1)CCC(=O)NCc1cccc(c1)Cl
• InChI: InChI=1S/C19H25ClN4O2/c1-2-18-22-19(23-26-18)24-10-8-14(9-11-24)6-7-17(25)21-13-15-4-3-5-16(20)12-15/h3-5,12,14H,2,6-11,13H2,1H3,(H,21,25)
• InChIKey: XJAKDNKLYFYZPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chlorophenyl)methyl]-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-[(3-chlorophenyl)methyl]-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propanamide
• Synonyms: N-(3-chlorobenzyl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.329204
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7132328
• LogD (pH = 7.4): 3.713234
• Log P: 3.7132342
• Molar Refractivity: 103.8106 cm^3
• Polarizability: 38.72067 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.6
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7