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

C14H17FN2O3 — CID 104785546

IUPAC3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)14(20)17-6-2-1-3-12(17)4-5-13(18)19/h7-9,12H,1-6H2,(H,18,19)
InChIKeyIKLIDWVPBJUGBD-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.08
Rot. Bonds4

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

3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 104785546) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID104785546
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)14(20)17-6-2-1-3-12(17)4-5-13(18)19/h7-9,12H,1-6H2,(H,18,19)
InChIKeyIKLIDWVPBJUGBD-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-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid (CID 104785546) is 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1cncc(F)c1.
What is the InChIKey of 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is IKLIDWVPBJUGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)14(20)17-6-2-1-3-12(17)4-5-13(18)19/h7-9,12H,1-6H2,(H,18,19).
What are the key properties of 3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(5-fluoropyridine-3-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-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 104785546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).