N3-ethyl-N1,N1-dimethyl-N3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 525862
• Molecular Formular: C15H25N5O3
• Molecular Mass: 323.3907
• Monoisotopic Mass: 323.19573969
• SMILES: C(=O)(N1CC(C(=O)N(Cc2nc(no2)C)CC)CCC1)N(C)C
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)N(C)C)Cc1onc(n1)C
• InChI: InChI=1S/C15H25N5O3/c1-5-19(10-13-16-11(2)17-23-13)14(21)12-7-6-8-20(9-12)15(22)18(3)4/h12H,5-10H2,1-4H3
• InChIKey: HFCIMDJGVJCFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-ethyl-N1,N1-dimethyl-N3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-ethyl-N1,N1-dimethyl-N3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-ethyl-N~1~,N~1~-dimethyl-N~3~-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.15074757
• LogD (pH = 7.4): 0.15074791
• Log P: 0.15074793
• Molar Refractivity: 86.5016 cm^3
• Polarizability: 32.220646 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.01
• LOG S: -2.86
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 4