RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135942
RefMet name3-Amino-2-piperidone
Systematic name3-aminopiperidin-2-one
SynonymsPubChem Synonyms
Exact mass114.079313 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H10N2OView other entries in RefMet with this formula
Molecular descriptors
Molfile37204 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKeyYCCMTCQQDULIFE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC1CC(C(=O)NC1)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassPiperidinones
Sub ClassPiperidinones
Distribution of 3-Amino-2-piperidone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 3-Amino-2-piperidone
External Links
Pubchem CID5200225
ChEBI ID76341
HMDB IDHMDB0000323
Chemspider ID4371576
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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