1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid

C13H17FN2O3 — CID 178099168

IUPAC1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid
SMILESCCn1ccc(F)c(N2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17FN2O3/c1-2-15-8-5-10(14)11(12(15)17)16-6-3-9(4-7-16)13(18)19/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyWLMLJHMJJPDTHS-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid

1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 178099168) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid
PubChem CID178099168
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid
SMILESCCn1ccc(F)c(N2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17FN2O3/c1-2-15-8-5-10(14)11(12(15)17)16-6-3-9(4-7-16)13(18)19/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyWLMLJHMJJPDTHS-UHFFFAOYSA-N
XLogP1.31
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid (CID 178099168) is 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid is CCn1ccc(F)c(N2CCC(C(=O)O)CC2)c1=O.
What is the InChIKey of 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is WLMLJHMJJPDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-15-8-5-10(14)11(12(15)17)16-6-3-9(4-7-16)13(18)19/h5,8-9H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid?
1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 178099168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).