6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

C16H24N2O2S — CID 64873759

IUPAC6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-13-16(20)18(8-6-12-7-9-21-10-12)14(11(2)3)15(19)17-13/h7,9-11,13-14H,4-6,8H2,1-3H3,(H,17,19)
InChIKeyDHIURYYWWJICME-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.44
Rot. Bonds6

About 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64873759) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64873759
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-13-16(20)18(8-6-12-7-9-21-10-12)14(11(2)3)15(19)17-13/h7,9-11,13-14H,4-6,8H2,1-3H3,(H,17,19)
InChIKeyDHIURYYWWJICME-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965037
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64872578
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64873759) is 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O.
What is the InChIKey of 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is DHIURYYWWJICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-13-16(20)18(8-6-12-7-9-21-10-12)14(11(2)3)15(19)17-13/h7,9-11,13-14H,4-6,8H2,1-3H3,(H,17,19).
What are the key properties of 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).