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

• ChemBase ID: 411360
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: n1c(onc1C)CN1CC(CCC(=O)NCc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(NCc1ccccc1F)CCC1CCCN(C1)Cc1onc(n1)C
• InChI: InChI=1S/C19H25FN4O2/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: CCCGHGFUVRQIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.414156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8649437
• LogD (pH = 7.4): 2.2897658
• Log P: 2.4632077
• Molar Refractivity: 98.1971 cm^3
• Polarizability: 36.908222 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: 1.72
• LOG S: -3.3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7