4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione

C11H12N2O3S — CID 66085509

IUPAC4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C11H12N2O3S/c1-2-7-3-4-8(17-7)11(16)13-5-9(14)12-10(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyUIDNZMOMJJORJN-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.41
Rot. Bonds2

About 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione

4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione (PubChem CID 66085509) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
PubChem CID66085509
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C11H12N2O3S/c1-2-7-3-4-8(17-7)11(16)13-5-9(14)12-10(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyUIDNZMOMJJORJN-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.41
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

(5-ethylthiophen-2-yl)-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
CID 133119695
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66085872
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133849
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione (CID 66085509) is 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione is CCc1ccc(C(=O)N2CC(=O)NC(=O)C2)s1.
What is the InChIKey of 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is UIDNZMOMJJORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-7-3-4-8(17-7)11(16)13-5-9(14)12-10(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15).
What are the key properties of 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione has a molecular weight of 252.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66085509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).