4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione

C14H16N2O3 — CID 66061744

IUPAC4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-5-11(9(2)6-8)14(19)16-7-12(17)15-13(18)10(16)3/h4-6,10H,7H2,1-3H3,(H,15,17,18)
InChIKeyOMVFFIMROYRZEV-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.79
Rot. Bonds1

About 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione

4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66061744) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
PubChem CID66061744
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-5-11(9(2)6-8)14(19)16-7-12(17)15-13(18)10(16)3/h4-6,10H,7H2,1-3H3,(H,15,17,18)
InChIKeyOMVFFIMROYRZEV-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.79
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-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione (CID 66061744) is 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione is Cc1ccc(C(=O)N2CC(=O)NC(=O)C2C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is OMVFFIMROYRZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-5-11(9(2)6-8)14(19)16-7-12(17)15-13(18)10(16)3/h4-6,10H,7H2,1-3H3,(H,15,17,18).
What are the key properties of 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione?
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 260.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).