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

• ChemBase ID: 629503
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: c1(nc(on1)CC)N1CC(CCC(=O)NCc2c(Cl)cccc2)CCC1
• Canonical SMILES: CCc1onc(n1)N1CCCC(C1)CCC(=O)NCc1ccccc1Cl
• InChI: InChI=1S/C19H25ClN4O2/c1-2-18-22-19(23-26-18)24-11-5-6-14(13-24)9-10-17(25)21-12-15-7-3-4-8-16(15)20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,25)
• InChIKey: CWFJWDKIRZMJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.31881
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7911863
• LogD (pH = 7.4): 3.7911878
• Log P: 3.7911878
• Molar Refractivity: 103.7336 cm^3
• Polarizability: 38.72455 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: 2.1
• LOG S: -3.74
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7