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

C15H18N2O3 — CID 66069864

IUPAC4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H18N2O3/c1-4-12-14(19)16-13(18)8-17(12)15(20)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyKUTWAXKYPRSSRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds2

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

4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069864) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069864
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H18N2O3/c1-4-12-14(19)16-13(18)8-17(12)15(20)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyKUTWAXKYPRSSRU-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
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

3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66068906
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione (CID 66069864) is 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is KUTWAXKYPRSSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-12-14(19)16-13(18)8-17(12)15(20)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of 4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione?
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 1.18, 2 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-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).