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

C16H24N2O2S — CID 64963081

IUPAC3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19)
InChIKeyJIECHFMBHZJWOG-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.96
Rot. Bonds3

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

3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64963081) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64963081
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19)
InChIKeyJIECHFMBHZJWOG-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963117
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965830
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958766
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972686
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957247

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64963081) is 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is JIECHFMBHZJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).