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

C13H18N2O2S — CID 64965819

IUPAC3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C(CC)c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-3-9-13(17)15(8-12(16)14-9)10(4-2)11-6-5-7-18-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyYEAYESQXNDLJGZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.94
Rot. Bonds4

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

3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione (PubChem CID 64965819) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
PubChem CID64965819
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C(CC)c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-3-9-13(17)15(8-12(16)14-9)10(4-2)11-6-5-7-18-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyYEAYESQXNDLJGZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965830
3-ethyl-1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64963137
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 156610617
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
3-butan-2-yl-1-(1-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64963736
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione (CID 64965819) is 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione is CCC1NC(=O)CN(C(CC)c2cccs2)C1=O.
What is the InChIKey of 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The InChIKey is YEAYESQXNDLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-9-13(17)15(8-12(16)14-9)10(4-2)11-6-5-7-18-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione has a molecular weight of 266.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64965819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).