1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione

C8H10N4O4 — CID 19085513

IUPAC1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione
SMILESO=C1NCCN(N2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C8H10N4O4/c13-5-7(15)11(3-1-9-5)12-4-2-10-6(14)8(12)16/h1-4H2,(H,9,13)(H,10,14)
InChIKeyPPCOBUITQSTXCS-UHFFFAOYSA-N
MW226.19 g/mol
LogP-3.18
Rot. Bonds1

About 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione

1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione (PubChem CID 19085513) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione
PubChem CID19085513
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione
SMILESO=C1NCCN(N2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C8H10N4O4/c13-5-7(15)11(3-1-9-5)12-4-2-10-6(14)8(12)16/h1-4H2,(H,9,13)(H,10,14)
InChIKeyPPCOBUITQSTXCS-UHFFFAOYSA-N
XLogP-3.18
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione)
CID 72760
1-[2-(2,6-Dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
CID 137661537
Piperazinyldiketone
CID 13750373
1,4-Dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
CID 19808084
1,2-Di(piperazin-1-yl)ethanone
CID 20377931
1-[2-(2-Oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 21114083
1-Piperidin-1-ylpiperazine-2,3-dione
CID 21454943
1-[2-(2,3-Dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione
CID 23455143
2-(4-Acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
CID 24708801
4-[(Piperazin-1-yl)acetyl]piperazin-2-one
CID 29008626
1-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 33747989
1-(3-Oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 43145085

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione?
The IUPAC name of 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione (CID 19085513) is 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione.
What is the SMILES notation for 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione?
The canonical SMILES for 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione is O=C1NCCN(N2CCNC(=O)C2=O)C1=O.
What is the InChIKey of 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione?
The InChIKey is PPCOBUITQSTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-5-7(15)11(3-1-9-5)12-4-2-10-6(14)8(12)16/h1-4H2,(H,9,13)(H,10,14).
What are the key properties of 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione?
1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione has a molecular weight of 226.19 g/mol, XLogP of -3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dioxopiperazin-1-yl)piperazine-2,3-dione is sourced from PubChem (CID 19085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).