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

C16H24N2O2S — CID 64963106

IUPAC6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)c2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-5-7-12-16(20)18(11(4)13-8-6-9-21-13)14(10(2)3)15(19)17-12/h6,8-12,14H,5,7H2,1-4H3,(H,17,19)
InChIKeyKOBWRTKSVHHWSY-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.96
Rot. Bonds5

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

6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64963106) 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-(1-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64963106
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)c2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-5-7-12-16(20)18(11(4)13-8-6-9-21-13)14(10(2)3)15(19)17-12/h6,8-12,14H,5,7H2,1-4H3,(H,17,19)
InChIKeyKOBWRTKSVHHWSY-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963081
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
1-(3-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64961542
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64963106) is 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(C(C)c2cccs2)C1=O.
What is the InChIKey of 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is KOBWRTKSVHHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-7-12-16(20)18(11(4)13-8-6-9-21-13)14(10(2)3)15(19)17-12/h6,8-12,14H,5,7H2,1-4H3,(H,17,19).
What are the key properties of 6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.96, 5 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-(1-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).