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

C14H16N2O3 — CID 66062314

IUPAC4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)14(19)16-8-12(17)15-13(18)9(16)2/h4-7,9H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyCLNJHGYPBHDTIC-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.74
Rot. Bonds2

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

4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062314) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
PubChem CID66062314
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)14(19)16-8-12(17)15-13(18)9(16)2/h4-7,9H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyCLNJHGYPBHDTIC-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
CID 66063481
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66076244
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
3-(2-methyl-3,5-dioxopiperazine-1-carbonyl)benzenecarbothioamide
CID 66075045
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione (CID 66062314) is 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione is CCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)cc1.
What is the InChIKey of 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is CLNJHGYPBHDTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)14(19)16-8-12(17)15-13(18)9(16)2/h4-7,9H,3,8H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione?
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 260.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).