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

C16H20N2O2S — CID 64885638

IUPAC3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCc2cccs2)C1C1CC1
InChIInChI=1S/C16H20N2O2S/c19-15-14(11-5-6-11)18(8-7-12-2-1-9-21-12)16(20)13(17-15)10-3-4-10/h1-2,9-11,13-14H,3-8H2,(H,17,19)
InChIKeyQMMRCGCNAIXNNH-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.81
Rot. Bonds5

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

3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64885638) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64885638
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCc2cccs2)C1C1CC1
InChIInChI=1S/C16H20N2O2S/c19-15-14(11-5-6-11)18(8-7-12-2-1-9-21-12)16(20)13(17-15)10-3-4-10/h1-2,9-11,13-14H,3-8H2,(H,17,19)
InChIKeyQMMRCGCNAIXNNH-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885635
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64885637
4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
CID 13476319
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154
3-cyclohexyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64833084
(4aS,8aR)-6-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56883212
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64885638) is 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CCc2cccs2)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is QMMRCGCNAIXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15-14(11-5-6-11)18(8-7-12-2-1-9-21-12)16(20)13(17-15)10-3-4-10/h1-2,9-11,13-14H,3-8H2,(H,17,19).
What are the key properties of 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 304.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).