3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione

C14H18N2O3S — CID 66068906

IUPAC3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1cc(C(=O)N2CC(=O)NC(=O)C2CC)sc1C
InChIInChI=1S/C14H18N2O3S/c1-4-9-6-11(20-8(9)3)14(19)16-7-12(17)15-13(18)10(16)5-2/h6,10H,4-5,7H2,1-3H3,(H,15,17,18)
InChIKeyNDAZUVMHHOFPEA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.50
Rot. Bonds3

About 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione

3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione (PubChem CID 66068906) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione
PubChem CID66068906
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1cc(C(=O)N2CC(=O)NC(=O)C2CC)sc1C
InChIInChI=1S/C14H18N2O3S/c1-4-9-6-11(20-8(9)3)14(19)16-7-12(17)15-13(18)10(16)5-2/h6,10H,4-5,7H2,1-3H3,(H,15,17,18)
InChIKeyNDAZUVMHHOFPEA-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068729
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
2-[(2S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 95358156
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione (CID 66068906) is 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione is CCc1cc(C(=O)N2CC(=O)NC(=O)C2CC)sc1C.
What is the InChIKey of 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is NDAZUVMHHOFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-9-6-11(20-8(9)3)14(19)16-7-12(17)15-13(18)10(16)5-2/h6,10H,4-5,7H2,1-3H3,(H,15,17,18).
What are the key properties of 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione has a molecular weight of 294.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66068906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).