1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid

C15H16FNO4 — CID 22350224

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C(=O)O
InChIInChI=1S/C15H16FNO4/c1-9-8-12(18)17(14(19)13(9)15(20)21)7-6-10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,20,21)
InChIKeyLIVKTBKHQUDLKM-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid (PubChem CID 22350224) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid
PubChem CID22350224
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C(=O)O
InChIInChI=1S/C15H16FNO4/c1-9-8-12(18)17(14(19)13(9)15(20)21)7-6-10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,20,21)
InChIKeyLIVKTBKHQUDLKM-UHFFFAOYSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
CID 22350240
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 6981907
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9374038
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
CID 79507232
(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 29056896
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
CID 98177833
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid (CID 22350224) is 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid is CC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C(=O)O.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid?
The InChIKey is LIVKTBKHQUDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-9-8-12(18)17(14(19)13(9)15(20)21)7-6-10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,20,21).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid is sourced from PubChem (CID 22350224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).