6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

C15H22N2O2S — CID 64873826

IUPAC6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1ccsc1
InChIInChI=1S/C15H22N2O2S/c1-5-15(4)14(19)16-12(10(2)3)13(18)17(15)8-11-6-7-20-9-11/h6-7,9-10,12H,5,8H2,1-4H3,(H,16,19)
InChIKeyFCPIHNBFXHXFHK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.40
Rot. Bonds4

About 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64873826) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
PubChem CID64873826
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1ccsc1
InChIInChI=1S/C15H22N2O2S/c1-5-15(4)14(19)16-12(10(2)3)13(18)17(15)8-11-6-7-20-9-11/h6-7,9-10,12H,5,8H2,1-4H3,(H,16,19)
InChIKeyFCPIHNBFXHXFHK-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64874006
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107056448
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902641
1-[(4-bromothiophen-2-yl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64875485
1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64902315
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
3-tert-butyl-6-ethyl-6-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64901898
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (CID 64873826) is 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1ccsc1.
What is the InChIKey of 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is FCPIHNBFXHXFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(4)14(19)16-12(10(2)3)13(18)17(15)8-11-6-7-20-9-11/h6-7,9-10,12H,5,8H2,1-4H3,(H,16,19).
What are the key properties of 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).