1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

C14H14FNO3 — CID 79506746

IUPAC1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2ccccc2F)C(=O)C1
InChIInChI=1S/C14H14FNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3
InChIKeyDYIAWVYJQWHXDO-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (PubChem CID 79506746) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
PubChem CID79506746
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2ccccc2F)C(=O)C1
InChIInChI=1S/C14H14FNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3
InChIKeyDYIAWVYJQWHXDO-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-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

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505964
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505869
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (CID 79506746) is 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(CC(=O)c2ccccc2F)C(=O)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is DYIAWVYJQWHXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9-6-13(18)16(14(19)7-9)8-12(17)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 263.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79506746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).