4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid

C14H12FNO6 — CID 68840403

IUPAC4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid
SMILESO=C(O)C1C(=O)NC(=O)C(C(=O)O)C1Cc1ccc(F)cc1
InChIInChI=1S/C14H12FNO6/c15-7-3-1-6(2-4-7)5-8-9(13(19)20)11(17)16-12(18)10(8)14(21)22/h1-4,8-10H,5H2,(H,19,20)(H,21,22)(H,16,17,18)
InChIKeyIGYWZKDKYLBZML-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.04
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid

4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid (PubChem CID 68840403) has the molecular formula C14H12FNO6 and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid
PubChem CID68840403
Molecular FormulaC14H12FNO6
Molecular Weight309.25 g/mol
Exact Mass309.06
IUPAC Name4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid
SMILESO=C(O)C1C(=O)NC(=O)C(C(=O)O)C1Cc1ccc(F)cc1
InChIInChI=1S/C14H12FNO6/c15-7-3-1-6(2-4-7)5-8-9(13(19)20)11(17)16-12(18)10(8)14(21)22/h1-4,8-10H,5H2,(H,19,20)(H,21,22)(H,16,17,18)
InChIKeyIGYWZKDKYLBZML-UHFFFAOYSA-N
XLogP0.04
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid (CID 68840403) is 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid is O=C(O)C1C(=O)NC(=O)C(C(=O)O)C1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The InChIKey is IGYWZKDKYLBZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO6/c15-7-3-1-6(2-4-7)5-8-9(13(19)20)11(17)16-12(18)10(8)14(21)22/h1-4,8-10H,5H2,(H,19,20)(H,21,22)(H,16,17,18).
What are the key properties of 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid?
4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid has a molecular weight of 309.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2,6-dioxopiperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 68840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).