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

C15H22N2O2S — CID 64963117

IUPAC3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-9(11-7-6-8-20-11)17-10(2)13(18)16-12(14(17)19)15(3,4)5/h6-10,12H,1-5H3,(H,16,18)
InChIKeyJYSCOZYYXGIGAB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.57
Rot. Bonds2

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

3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64963117) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64963117
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-9(11-7-6-8-20-11)17-10(2)13(18)16-12(14(17)19)15(3,4)5/h6-10,12H,1-5H3,(H,16,18)
InChIKeyJYSCOZYYXGIGAB-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963081
3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957247
3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972686
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
3-tert-butyl-6-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027619
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
3-tert-butyl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959323
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64963117) is 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1cccs1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is JYSCOZYYXGIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9(11-7-6-8-20-11)17-10(2)13(18)16-12(14(17)19)15(3,4)5/h6-10,12H,1-5H3,(H,16,18).
What are the key properties of 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).