4-(4-propylcyclohexyl)piperazine-2,6-dione

C13H22N2O2 — CID 55235193

IUPAC4-(4-propylcyclohexyl)piperazine-2,6-dione
SMILESCCCC1CCC(N2CC(=O)NC(=O)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-10-4-6-11(7-5-10)15-8-12(16)14-13(17)9-15/h10-11H,2-9H2,1H3,(H,14,16,17)
InChIKeyMLXLGRKRDFSOMM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

About 4-(4-propylcyclohexyl)piperazine-2,6-dione

4-(4-propylcyclohexyl)piperazine-2,6-dione (PubChem CID 55235193) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)piperazine-2,6-dione
PubChem CID55235193
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(4-propylcyclohexyl)piperazine-2,6-dione
SMILESCCCC1CCC(N2CC(=O)NC(=O)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-3-10-4-6-11(7-5-10)15-8-12(16)14-13(17)9-15/h10-11H,2-9H2,1H3,(H,14,16,17)
InChIKeyMLXLGRKRDFSOMM-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-propylcyclohexyl)piperazine-2,6-dione (CID 55235193) is 4-(4-propylcyclohexyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-propylcyclohexyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-propylcyclohexyl)piperazine-2,6-dione is CCCC1CCC(N2CC(=O)NC(=O)C2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)piperazine-2,6-dione?
The InChIKey is MLXLGRKRDFSOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-10-4-6-11(7-5-10)15-8-12(16)14-13(17)9-15/h10-11H,2-9H2,1H3,(H,14,16,17).
What are the key properties of 4-(4-propylcyclohexyl)piperazine-2,6-dione?
4-(4-propylcyclohexyl)piperazine-2,6-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)piperazine-2,6-dione is sourced from PubChem (CID 55235193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).