N-phenylpiperidine-1,4-dicarboxamide

N-phenylpiperidine-1,4-dicarboxamide bmse011446 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H17N3O2

Natural Isotopic Abundance Mass: 247.29297999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 247.132076799
  • C13N14: 260.1756896930002
  • C12N15: 250.12318147800002
  • C13N15: 263.1667943720003

InChI string: InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)

wwPDB CCD: T0J

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)