1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid

C12H13FN2O3 — CID 113435785

IUPAC1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C12H13FN2O3/c13-9-1-2-10(14-7-9)11(16)15-5-3-8(4-6-15)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyVEGUSAFGHWJUJR-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.16
Rot. Bonds2

About 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid

1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 113435785) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID113435785
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C12H13FN2O3/c13-9-1-2-10(14-7-9)11(16)15-5-3-8(4-6-15)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyVEGUSAFGHWJUJR-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681608
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
[3a-(hydroxymethyl)-2-methylsulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-(5-fluoro-2-pyridinyl)methanone
CID 171142806
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid (CID 113435785) is 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is VEGUSAFGHWJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-1-2-10(14-7-9)11(16)15-5-3-8(4-6-15)12(17)18/h1-2,7-8H,3-6H2,(H,17,18).
What are the key properties of 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid?
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 113435785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).