1-piperazin-1-ylpiperazine-2,3-dione

C8H14N4O2 — CID 67714449

IUPAC1-piperazin-1-ylpiperazine-2,3-dione
SMILESO=C1NCCN(N2CCNCC2)C1=O
InChIInChI=1S/C8H14N4O2/c13-7-8(14)12(6-3-10-7)11-4-1-9-2-5-11/h9H,1-6H2,(H,10,13)
InChIKeyOBXGPORSQDXSLL-UHFFFAOYSA-N
MW198.23 g/mol
LogP-2.23
Rot. Bonds1

About 1-piperazin-1-ylpiperazine-2,3-dione

1-piperazin-1-ylpiperazine-2,3-dione (PubChem CID 67714449) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-piperazin-1-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-piperazin-1-ylpiperazine-2,3-dione
PubChem CID67714449
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-piperazin-1-ylpiperazine-2,3-dione
SMILESO=C1NCCN(N2CCNCC2)C1=O
InChIInChI=1S/C8H14N4O2/c13-7-8(14)12(6-3-10-7)11-4-1-9-2-5-11/h9H,1-6H2,(H,10,13)
InChIKeyOBXGPORSQDXSLL-UHFFFAOYSA-N
XLogP-2.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylpiperazine-2,3-dione?
The IUPAC name of 1-piperazin-1-ylpiperazine-2,3-dione (CID 67714449) is 1-piperazin-1-ylpiperazine-2,3-dione.
What is the SMILES notation for 1-piperazin-1-ylpiperazine-2,3-dione?
The canonical SMILES for 1-piperazin-1-ylpiperazine-2,3-dione is O=C1NCCN(N2CCNCC2)C1=O.
What is the InChIKey of 1-piperazin-1-ylpiperazine-2,3-dione?
The InChIKey is OBXGPORSQDXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c13-7-8(14)12(6-3-10-7)11-4-1-9-2-5-11/h9H,1-6H2,(H,10,13).
What are the key properties of 1-piperazin-1-ylpiperazine-2,3-dione?
1-piperazin-1-ylpiperazine-2,3-dione has a molecular weight of 198.23 g/mol, XLogP of -2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylpiperazine-2,3-dione is sourced from PubChem (CID 67714449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).