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

C16H24N2O2S — CID 64966440

IUPAC3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C16H24N2O2S/c1-5-8-12(13-9-7-10-21-13)18-11(3)14(19)17-16(4,6-2)15(18)20/h7,9-12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyOYUNLYRUEHJTJW-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.10
Rot. Bonds5

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

3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (PubChem CID 64966440) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
PubChem CID64966440
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C16H24N2O2S/c1-5-8-12(13-9-7-10-21-13)18-11(3)14(19)17-16(4,6-2)15(18)20/h7,9-12H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyOYUNLYRUEHJTJW-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966335
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (CID 64966440) is 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is CCCC(c1cccs1)N1C(=O)C(C)(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The InChIKey is OYUNLYRUEHJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-8-12(13-9-7-10-21-13)18-11(3)14(19)17-16(4,6-2)15(18)20/h7,9-12H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64966440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).