4-acetyl-N-ethylpiperazine-1-carboxamide

4-acetyl-N-ethylpiperazine-1-carboxamide bmse011174 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H17N3O2

Natural Isotopic Abundance Mass: 199.25017999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 199.132076799
  • C13N14: 208.16227034100004
  • C12N15: 202.12318147800002
  • C13N15: 211.15337502000006

InChI string: InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)

wwPDB CCD: K3D

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)