3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione

C13H19N3O2 — CID 79320574

IUPAC3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
SMILESCCCn1cncc1C1CC(=O)NC(=O)C1CC
InChIInChI=1S/C13H19N3O2/c1-3-5-16-8-14-7-11(16)10-6-12(17)15-13(18)9(10)4-2/h7-10H,3-6H2,1-2H3,(H,15,17,18)
InChIKeySCLWHEIJSUJBAI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds4

About 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione

3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione (PubChem CID 79320574) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
PubChem CID79320574
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
SMILESCCCn1cncc1C1CC(=O)NC(=O)C1CC
InChIInChI=1S/C13H19N3O2/c1-3-5-16-8-14-7-11(16)10-6-12(17)15-13(18)9(10)4-2/h7-10H,3-6H2,1-2H3,(H,15,17,18)
InChIKeySCLWHEIJSUJBAI-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
CID 66129465
4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one
CID 66129776
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
CID 66130852
4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
CID 79977934
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
CID 66131789
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
CID 66234913
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione
CID 79321452
2-methyl-N-[[2-(3-propylimidazol-4-yl)cyclopropyl]methyl]propan-1-amine
CID 66132443
6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
CID 66129381

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione (CID 79320574) is 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione is CCCn1cncc1C1CC(=O)NC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione?
The InChIKey is SCLWHEIJSUJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-5-16-8-14-7-11(16)10-6-12(17)15-13(18)9(10)4-2/h7-10H,3-6H2,1-2H3,(H,15,17,18).
What are the key properties of 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione?
3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione has a molecular weight of 249.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 79320574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).