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

• ChemBase ID: 323114
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: n1c(noc1CN1CC(CNC(=O)C)CCC1)c1ccccc1
• Canonical SMILES: CC(=O)NCC1CCCN(C1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C17H22N4O2/c1-13(22)18-10-14-6-5-9-21(11-14)12-16-19-17(20-23-16)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,18,22)
• InChIKey: NMGCQXHMCMREAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.390143
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.019924227
• LogD (pH = 7.4): 1.5542858
• Log P: 1.832598
• Molar Refractivity: 99.4997 cm^3
• Polarizability: 34.29304 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.84
• LOG S: -2.13
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5