3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

C14H20N2O2S — CID 64966297

IUPAC3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C14H20N2O2S/c1-4-6-11(12-7-5-8-19-12)16-10(3)13(17)15-9(2)14(16)18/h5,7-11H,4,6H2,1-3H3,(H,15,17)
InChIKeyBHOAOUPUSVBGIH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds4

About 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (PubChem CID 64966297) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
PubChem CID64966297
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C14H20N2O2S/c1-4-6-11(12-7-5-8-19-12)16-10(3)13(17)15-9(2)14(16)18/h5,7-11H,4,6H2,1-3H3,(H,15,17)
InChIKeyBHOAOUPUSVBGIH-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450
1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64972792
3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963117
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619
6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965830
5-ethyl-2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946872
2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64930120
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (CID 64966297) is 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is CCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The InChIKey is BHOAOUPUSVBGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-6-11(12-7-5-8-19-12)16-10(3)13(17)15-9(2)14(16)18/h5,7-11H,4,6H2,1-3H3,(H,15,17).
What are the key properties of 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64966297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).