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

C16H24N2O2S — CID 64885668

IUPAC6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(CC)C(=O)N1Cc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-5-11(3)13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-9-21-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyTYGOISNGGJPVKU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.79
Rot. Bonds5

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

6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64885668) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64885668
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(CC)C(=O)N1Cc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-5-11(3)13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-9-21-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyTYGOISNGGJPVKU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64886050
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64882918
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64885668) is 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(CC)C(=O)N1Cc1cccs1.
What is the InChIKey of 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is TYGOISNGGJPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-11(3)13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-9-21-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).