N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 755965
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(nonc1C)OCCNC(=O)C1CN(C(=O)CC1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCCOc1nonc1C
• InChI: InChI=1S/C20H26N4O4/c1-15-20(23-28-22-15)27-13-11-21-19(26)17-9-10-18(25)24(14-17)12-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,21,26)
• InChIKey: PRCRGPFVULEVCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.916182
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3004463
• LogD (pH = 7.4): 1.3004464
• Log P: 1.3004464
• Molar Refractivity: 104.3568 cm^3
• Polarizability: 39.47893 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.87
• LOG S: -3.76
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 9