4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione

C11H12N2O3S — CID 66085872

IUPAC4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1ccsc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H12N2O3S/c1-2-7-3-4-17-10(7)11(16)13-5-8(14)12-9(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyQOJIPLHHWJLGOO-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.41
Rot. Bonds2

About 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione

4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione (PubChem CID 66085872) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione
PubChem CID66085872
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESCCc1ccsc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H12N2O3S/c1-2-7-3-4-17-10(7)11(16)13-5-8(14)12-9(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyQOJIPLHHWJLGOO-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione (CID 66085872) is 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione is CCc1ccsc1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is QOJIPLHHWJLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-7-3-4-17-10(7)11(16)13-5-8(14)12-9(15)6-13/h3-4H,2,5-6H2,1H3,(H,12,14,15).
What are the key properties of 4-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione?
4-(3-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-(3-ethylthiophene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66085872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).