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

C16H22N2O2S — CID 64963749

IUPAC3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC(c1cccs1)N1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-11(13-8-5-9-21-13)18-10-14(19)17-15(16(18)20)12-6-3-2-4-7-12/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,19)
InChIKeyPQAWHSSMNOXXHZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.72
Rot. Bonds3

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

3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64963749) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64963749
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC(c1cccs1)N1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-11(13-8-5-9-21-13)18-10-14(19)17-15(16(18)20)12-6-3-2-4-7-12/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,19)
InChIKeyPQAWHSSMNOXXHZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64963749) is 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is CC(c1cccs1)N1CC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is PQAWHSSMNOXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(13-8-5-9-21-13)18-10-14(19)17-15(16(18)20)12-6-3-2-4-7-12/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione?
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 306.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).