piperidine-2,3,4-trione

C5H5NO3 — CID 22285244

IUPACpiperidine-2,3,4-trione
SMILESO=C1CCNC(=O)C1=O
InChIInChI=1S/C5H5NO3/c7-3-1-2-6-5(9)4(3)8/h1-2H2,(H,6,9)
InChIKeyNKZJOZSRCXTAMP-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.36
Rot. Bonds

About piperidine-2,3,4-trione

piperidine-2,3,4-trione (PubChem CID 22285244) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is piperidine-2,3,4-trione.

Molecular Properties

Compound Namepiperidine-2,3,4-trione
PubChem CID22285244
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Namepiperidine-2,3,4-trione
SMILESO=C1CCNC(=O)C1=O
InChIInChI=1S/C5H5NO3/c7-3-1-2-6-5(9)4(3)8/h1-2H2,(H,6,9)
InChIKeyNKZJOZSRCXTAMP-UHFFFAOYSA-N
XLogP-1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-2,3,4-trione?
The IUPAC name of piperidine-2,3,4-trione (CID 22285244) is piperidine-2,3,4-trione.
What is the SMILES notation for piperidine-2,3,4-trione?
The canonical SMILES for piperidine-2,3,4-trione is O=C1CCNC(=O)C1=O.
What is the InChIKey of piperidine-2,3,4-trione?
The InChIKey is NKZJOZSRCXTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-3-1-2-6-5(9)4(3)8/h1-2H2,(H,6,9).
What are the key properties of piperidine-2,3,4-trione?
piperidine-2,3,4-trione has a molecular weight of 127.10 g/mol, XLogP of -1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,3,4-trione is sourced from PubChem (CID 22285244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).