N3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 380195
• Molecular Formular: C16H27N5O4
• Molecular Mass: 353.41668
• Monoisotopic Mass: 353.20630437
• SMILES: C(=O)(N1CC(C(=O)N(Cc2nc(no2)CCOC)C)CCC1)N(C)C
• Canonical SMILES: COCCc1noc(n1)CN(C(=O)C1CCCN(C1)C(=O)N(C)C)C
• InChI: InChI=1S/C16H27N5O4/c1-19(2)16(23)21-8-5-6-12(10-21)15(22)20(3)11-14-17-13(18-25-14)7-9-24-4/h12H,5-11H2,1-4H3
• InChIKey: JWYQKJFEWWNNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N1,N1,N3-trimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.23782587
• LogD (pH = 7.4): -0.23782562
• Log P: -0.23782562
• Molar Refractivity: 92.9058 cm^3
• Polarizability: 34.787144 Å^3
• Polar Surface Area: 92.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.53
• LOG S: -2.63
• Polar Surface Area: 92.01 Å^2
• Rotatable Bonds: 6