piperazine-2,5-dione

C4H6N2O2 — CID 7817

IUPACpiperazine-2,5-dione
SMILESO=C1CNC(=O)CN1
InChIInChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKeyBXRNXXXXHLBUKK-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.77
Rot. Bonds

About piperazine-2,5-dione

piperazine-2,5-dione (PubChem CID 7817) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is piperazine-2,5-dione.

Molecular Properties

Compound Namepiperazine-2,5-dione
PubChem CID7817
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Namepiperazine-2,5-dione
SMILESO=C1CNC(=O)CN1
InChIInChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKeyBXRNXXXXHLBUKK-UHFFFAOYSA-N
XLogP-1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Glycylglycylglycinamide
CID 6427033
1-Ethyl-2,3-piperazinedione
CID 108812
Fibrins
CID 439199
Piperazin-2-one
CID 231360
N-Acetylglycinamide
CID 28326
1-Acetylpiperazine
CID 83795
Glycylglycinamide
CID 437662
4-Methylpiperazine-2,6-dione
CID 124723
2,3-Piperazinedione, 1-methyl-
CID 3042433
2,3-Piperazinedione
CID 72761
1-Methylpiperazine-2,5-dione
CID 260137
1-Methyl-3-oxopiperazine
CID 13704283

Frequently Asked Questions

What is the IUPAC name of piperazine-2,5-dione?
The IUPAC name of piperazine-2,5-dione (CID 7817) is piperazine-2,5-dione.
What is the SMILES notation for piperazine-2,5-dione?
The canonical SMILES for piperazine-2,5-dione is O=C1CNC(=O)CN1.
What is the InChIKey of piperazine-2,5-dione?
The InChIKey is BXRNXXXXHLBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7).
What are the key properties of piperazine-2,5-dione?
piperazine-2,5-dione has a molecular weight of 114.10 g/mol, XLogP of -1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2,5-dione is sourced from PubChem (CID 7817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).