1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 702348
• Molecular Formular: C24H26N4O4
• Molecular Mass: 434.48764
• Monoisotopic Mass: 434.19540533
• SMILES: n1c(noc1CCNC(=O)C1CN(C(=O)CC1)Cc1cc(OC)ccc1)c1ccccc1
• Canonical SMILES: COc1cccc(c1)CN1CC(CCC1=O)C(=O)NCCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C24H26N4O4/c1-31-20-9-5-6-17(14-20)15-28-16-19(10-11-22(28)29)24(30)25-13-12-21-26-23(27-32-21)18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3,(H,25,30)
• InChIKey: YOIBIXRWFSCPRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
• Synonyms: 1-(3-methoxybenzyl)-6-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.150151
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7345486
• LogD (pH = 7.4): 2.7345488
• Log P: 2.7345488
• Molar Refractivity: 130.3024 cm^3
• Polarizability: 46.095085 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.75
• LOG S: -4.08
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7