1,4-diacetylpiperazine-2,3-dione

C8H10N2O4 — CID 22055230

IUPAC1,4-diacetylpiperazine-2,3-dione
SMILESCC(=O)N1CCN(C(C)=O)C(=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)9-3-4-10(6(2)12)8(14)7(9)13/h3-4H2,1-2H3
InChIKeyPQTRERAGQHJMDN-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.25
Rot. Bonds

About 1,4-diacetylpiperazine-2,3-dione

1,4-diacetylpiperazine-2,3-dione (PubChem CID 22055230) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1,4-diacetylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-diacetylpiperazine-2,3-dione
PubChem CID22055230
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1,4-diacetylpiperazine-2,3-dione
SMILESCC(=O)N1CCN(C(C)=O)C(=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-5(11)9-3-4-10(6(2)12)8(14)7(9)13/h3-4H2,1-2H3
InChIKeyPQTRERAGQHJMDN-UHFFFAOYSA-N
XLogP-1.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
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 1,4-diacetylpiperazine-2,3-dione?
The IUPAC name of 1,4-diacetylpiperazine-2,3-dione (CID 22055230) is 1,4-diacetylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-diacetylpiperazine-2,3-dione?
The canonical SMILES for 1,4-diacetylpiperazine-2,3-dione is CC(=O)N1CCN(C(C)=O)C(=O)C1=O.
What is the InChIKey of 1,4-diacetylpiperazine-2,3-dione?
The InChIKey is PQTRERAGQHJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)9-3-4-10(6(2)12)8(14)7(9)13/h3-4H2,1-2H3.
What are the key properties of 1,4-diacetylpiperazine-2,3-dione?
1,4-diacetylpiperazine-2,3-dione has a molecular weight of 198.18 g/mol, XLogP of -1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diacetylpiperazine-2,3-dione is sourced from PubChem (CID 22055230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).