4-(4-methylbenzoyl)piperazine-2,6-dione

C12H12N2O3 — CID 576804

IUPAC4-(4-methylbenzoyl)piperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H12N2O3/c1-8-2-4-9(5-3-8)12(17)14-6-10(15)13-11(16)7-14/h2-5H,6-7H2,1H3,(H,13,15,16)
InChIKeyMPGIBRLEIRRDRY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.09
Rot. Bonds1

About 4-(4-methylbenzoyl)piperazine-2,6-dione

4-(4-methylbenzoyl)piperazine-2,6-dione (PubChem CID 576804) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-methylbenzoyl)piperazine-2,6-dione
PubChem CID576804
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(4-methylbenzoyl)piperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H12N2O3/c1-8-2-4-9(5-3-8)12(17)14-6-10(15)13-11(16)7-14/h2-5H,6-7H2,1H3,(H,13,15,16)
InChIKeyMPGIBRLEIRRDRY-UHFFFAOYSA-N
XLogP0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-methylbenzoyl)piperazine-2,6-dione (CID 576804) is 4-(4-methylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-methylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-methylbenzoyl)piperazine-2,6-dione is Cc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)piperazine-2,6-dione?
The InChIKey is MPGIBRLEIRRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-2-4-9(5-3-8)12(17)14-6-10(15)13-11(16)7-14/h2-5H,6-7H2,1H3,(H,13,15,16).
What are the key properties of 4-(4-methylbenzoyl)piperazine-2,6-dione?
4-(4-methylbenzoyl)piperazine-2,6-dione has a molecular weight of 232.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 576804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).