3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid

C14H17FN2O3 — CID 104638221

IUPAC3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2O3/c15-10-4-6-12(16-9-10)14(20)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H,18,19)
InChIKeyZQUAGNCLURVSKH-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.08
Rot. Bonds4

About 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 104638221) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID104638221
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H17FN2O3/c15-10-4-6-12(16-9-10)14(20)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H,18,19)
InChIKeyZQUAGNCLURVSKH-UHFFFAOYSA-N
XLogP2.08
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid (CID 104638221) is 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is ZQUAGNCLURVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-4-6-12(16-9-10)14(20)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H,18,19).
What are the key properties of 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 104638221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).