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

C15H20N2O2S — CID 64902641

IUPAC6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-3-12-13(18)17(8-10-6-7-20-9-10)15(2,11-4-5-11)14(19)16-12/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyXNIJUFAYSRIGQH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.15
Rot. Bonds4

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

6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64902641) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
PubChem CID64902641
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-3-12-13(18)17(8-10-6-7-20-9-10)15(2,11-4-5-11)14(19)16-12/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyXNIJUFAYSRIGQH-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965
6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979674
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64903218
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873826
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922
6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872609
1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874325

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (CID 64902641) is 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is XNIJUFAYSRIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-12-13(18)17(8-10-6-7-20-9-10)15(2,11-4-5-11)14(19)16-12/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,19).
What are the key properties of 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).