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

C16H24N2O2S — CID 64965830

IUPAC6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C(CC)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-5-11(13-8-7-9-21-13)18-12(6-2)15(19)17-14(10(3)4)16(18)20/h7-12,14H,5-6H2,1-4H3,(H,17,19)
InChIKeyWRGSEAMQWXZSLY-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.96
Rot. Bonds5

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

6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione (PubChem CID 64965830) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
PubChem CID64965830
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C(CC)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-5-11(13-8-7-9-21-13)18-12(6-2)15(19)17-14(10(3)4)16(18)20/h7-12,14H,5-6H2,1-4H3,(H,17,19)
InChIKeyWRGSEAMQWXZSLY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963081
3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965819
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 107604069
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970456
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64873857
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione (CID 64965830) is 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C(CC)c1cccs1.
What is the InChIKey of 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
The InChIKey is WRGSEAMQWXZSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-11(13-8-7-9-21-13)18-12(6-2)15(19)17-14(10(3)4)16(18)20/h7-12,14H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione?
6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64965830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).