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

• ChemBase ID: 424224
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: n1c(onc1C)CN1CC(CCC(=O)NCc2c(Cl)cccc2)CCC1
• Canonical SMILES: O=C(NCc1ccccc1Cl)CCC1CCCN(C1)Cc1onc(n1)C
• InChI: InChI=1S/C19H25ClN4O2/c1-14-22-19(26-23-14)13-24-10-4-5-15(12-24)8-9-18(25)21-11-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,25)
• InChIKey: MMFIRWFVNRZXDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.414046
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2821611
• LogD (pH = 7.4): 2.7069833
• Log P: 2.8804252
• Molar Refractivity: 102.7855 cm^3
• Polarizability: 39.10516 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: 5
• H Donor: 1
• Log P: 2.26
• LOG S: -3.88
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7