4-(3-ethylphenyl)piperidine-2,6-dione

C13H15NO2 — CID 170001328

IUPAC4-(3-ethylphenyl)piperidine-2,6-dione
SMILESCCc1cccc(C2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C13H15NO2/c1-2-9-4-3-5-10(6-9)11-7-12(15)14-13(16)8-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyPOBWXWGTPATIFK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds2

About 4-(3-ethylphenyl)piperidine-2,6-dione

4-(3-ethylphenyl)piperidine-2,6-dione (PubChem CID 170001328) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(3-ethylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-ethylphenyl)piperidine-2,6-dione
PubChem CID170001328
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(3-ethylphenyl)piperidine-2,6-dione
SMILESCCc1cccc(C2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C13H15NO2/c1-2-9-4-3-5-10(6-9)11-7-12(15)14-13(16)8-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyPOBWXWGTPATIFK-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-(3-ethylphenyl)piperidine-2,6-dione (CID 170001328) is 4-(3-ethylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3-ethylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-(3-ethylphenyl)piperidine-2,6-dione is CCc1cccc(C2CC(=O)NC(=O)C2)c1.
What is the InChIKey of 4-(3-ethylphenyl)piperidine-2,6-dione?
The InChIKey is POBWXWGTPATIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-9-4-3-5-10(6-9)11-7-12(15)14-13(16)8-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-ethylphenyl)piperidine-2,6-dione?
4-(3-ethylphenyl)piperidine-2,6-dione has a molecular weight of 217.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 170001328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).