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

C16H24N2O2S — CID 64903189

IUPAC3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-13-16(20)18(7-5-12-6-8-21-10-12)14(9-11(2)3)15(19)17-13/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H,17,19)
InChIKeyUNRWZTICZRVDOK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.44
Rot. Bonds6

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

3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64903189) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64903189
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-13-16(20)18(7-5-12-6-8-21-10-12)14(9-11(2)3)15(19)17-13/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H,17,19)
InChIKeyUNRWZTICZRVDOK-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64903189) is 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CCC1NC(=O)C(CC(C)C)N(CCc2ccsc2)C1=O.
What is the InChIKey of 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is UNRWZTICZRVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-13-16(20)18(7-5-12-6-8-21-10-12)14(9-11(2)3)15(19)17-13/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H,17,19).
What are the key properties of 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64903189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).