5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid

C12H12FNO3 — CID 165438358

IUPAC5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)CNC1=O
InChIInChI=1S/C12H12FNO3/c13-9-3-1-2-7(4-9)8-5-10(12(16)17)11(15)14-6-8/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyUPMZXBHUXKHHMT-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.13
Rot. Bonds2

About 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid

5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid (PubChem CID 165438358) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid
PubChem CID165438358
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)CNC1=O
InChIInChI=1S/C12H12FNO3/c13-9-3-1-2-7(4-9)8-5-10(12(16)17)11(15)14-6-8/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyUPMZXBHUXKHHMT-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173047292
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3-(3-fluorophenyl)pyrrolidine;oxalic acid
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2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
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(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
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1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
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4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid (CID 165438358) is 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid is O=C(O)C1CC(c2cccc(F)c2)CNC1=O.
What is the InChIKey of 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid?
The InChIKey is UPMZXBHUXKHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-1-2-7(4-9)8-5-10(12(16)17)11(15)14-6-8/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid?
5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 165438358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).