6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

C12H16N2O2S — CID 64878701

IUPAC6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccsc1
InChIInChI=1S/C12H16N2O2S/c1-2-10-12(16)13-7-11(15)14(10)5-3-9-4-6-17-8-9/h4,6,8,10H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyVKQZXMBNCUDTQT-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.03
Rot. Bonds4

About 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64878701) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64878701
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccsc1
InChIInChI=1S/C12H16N2O2S/c1-2-10-12(16)13-7-11(15)14(10)5-3-9-4-6-17-8-9/h4,6,8,10H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyVKQZXMBNCUDTQT-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 114140334
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970133
6-ethyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 64967343
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
CID 106733638
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64878701) is 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCc1ccsc1.
What is the InChIKey of 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is VKQZXMBNCUDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-10-12(16)13-7-11(15)14(10)5-3-9-4-6-17-8-9/h4,6,8,10H,2-3,5,7H2,1H3,(H,13,16).
What are the key properties of 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64878701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).