3-ethyl-3-phenylpiperidine-2,6-dione

C13H15NO2 — CID 3487

💊View drug profile → glutethimide
IUPAC3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
InChIKeyJMBQKKAJIKAWKF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds2

About 3-ethyl-3-phenylpiperidine-2,6-dione

3-ethyl-3-phenylpiperidine-2,6-dione (PubChem CID 3487) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-ethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-phenylpiperidine-2,6-dione
PubChem CID3487
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
InChIKeyJMBQKKAJIKAWKF-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'}

Analyze 3-ethyl-3-phenylpiperidine-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

Phenobarbital
CID 4763
Pheneturide
CID 72060
Phenglutarimide
CID 102669
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
Fenimide
CID 6068
Barbituric acid, 5-hexyl-5-phenyl-
CID 49292
2-Methyl-2-phenylpropanamide
CID 94713
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
3-Phenylpyrrolidine-2,5-dione
CID 568890
3-Phenylglutarimide
CID 101452
Barbituric acid, 5-butyl-5-phenyl-
CID 26109

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-phenylpiperidine-2,6-dione (CID 3487) is 3-ethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-phenylpiperidine-2,6-dione is CCC1(c2ccccc2)CCC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is JMBQKKAJIKAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16).
What are the key properties of 3-ethyl-3-phenylpiperidine-2,6-dione?
3-ethyl-3-phenylpiperidine-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 3-ethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 3487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).