1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid

C14H16FNO3 — CID 62302897

IUPAC1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)7-8-16-9-11(14(18)19)3-6-13(16)17/h1-2,4-5,11H,3,6-9H2,(H,18,19)
InChIKeyQUGIWIXQUZVJPG-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302897) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62302897
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)7-8-16-9-11(14(18)19)3-6-13(16)17/h1-2,4-5,11H,3,6-9H2,(H,18,19)
InChIKeyQUGIWIXQUZVJPG-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-3-carboxylic acid
CID 116837796
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
1-[(3-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 103038424
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374219
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid (CID 62302897) is 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is QUGIWIXQUZVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-4-1-10(2-5-12)7-8-16-9-11(14(18)19)3-6-13(16)17/h1-2,4-5,11H,3,6-9H2,(H,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).