4-(furan-2-carbonyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)piperazine-1-carboxamide bmse011690 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H13N3O3

Natural Isotopic Abundance Mass: 223.2285199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 223.095691291
  • C13N14: 233.12923967100005
  • C12N15: 226.08679597000003
  • C13N15: 236.12034435000007

InChI string: InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)

wwPDB CCD: K2M

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)