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

• ChemBase ID: 843786
• Molecular Formular: C19H25ClN4O3
• Molecular Mass: 392.8798
• Monoisotopic Mass: 392.16151836
• SMILES: c1(nc(on1)CC)N1CC(CCC(=O)Nc2cc(ccc2OC)Cl)CCC1
• Canonical SMILES: CCc1onc(n1)N1CCCC(C1)CCC(=O)Nc1cc(Cl)ccc1OC
• InChI: InChI=1S/C19H25ClN4O3/c1-3-18-22-19(23-27-18)24-10-4-5-13(12-24)6-9-17(25)21-15-11-14(20)7-8-16(15)26-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,21,25)
• InChIKey: HZUOCTQTQNAVKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.302462
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.9266105
• LogD (pH = 7.4): 3.9266067
• Log P: 3.926612
• Molar Refractivity: 107.1426 cm^3
• Polarizability: 39.420433 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.55
• LOG S: -4.24
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7