1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid

C12H14N2O4 — CID 81445360

IUPAC1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H14N2O4/c15-10-6-13-4-3-9(10)11(16)14-5-1-2-8(7-14)12(17)18/h3-4,6,8,15H,1-2,5,7H2,(H,17,18)
InChIKeyJUZUYXGPGMABLA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid

1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81445360) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID81445360
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H14N2O4/c15-10-6-13-4-3-9(10)11(16)14-5-1-2-8(7-14)12(17)18/h3-4,6,8,15H,1-2,5,7H2,(H,17,18)
InChIKeyJUZUYXGPGMABLA-UHFFFAOYSA-N
XLogP0.72
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid (CID 81445360) is 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccncc2O)C1.
What is the InChIKey of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JUZUYXGPGMABLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-6-13-4-3-9(10)11(16)14-5-1-2-8(7-14)12(17)18/h3-4,6,8,15H,1-2,5,7H2,(H,17,18).
What are the key properties of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid?
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81445360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).