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

C15H20N2O2S — CID 64886515

IUPAC3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1ccsc1
InChIInChI=1S/C15H20N2O2S/c1-10-13(18)16-15(2,12-3-4-12)14(19)17(10)7-5-11-6-8-20-9-11/h6,8-10,12H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyWNHDVTOLPYITBA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.81
Rot. Bonds4

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

3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64886515) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64886515
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1ccsc1
InChIInChI=1S/C15H20N2O2S/c1-10-13(18)16-15(2,12-3-4-12)14(19)17(10)7-5-11-6-8-20-9-11/h6,8-10,12H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyWNHDVTOLPYITBA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
CID 64881675
3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
3-cyclopropyl-3,6-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106433005
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
CID 103414802
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971066
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64886515) is 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1ccsc1.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is WNHDVTOLPYITBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-13(18)16-15(2,12-3-4-12)14(19)17(10)7-5-11-6-8-20-9-11/h6,8-10,12H,3-5,7H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).