5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid

C12H14N2O4 — CID 43414812

IUPAC5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H14N2O4/c15-9-3-5-14(6-4-9)11(16)8-1-2-10(12(17)18)13-7-8/h1-2,7,9,15H,3-6H2,(H,17,18)
InChIKeyBJEACBJGVAONQR-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.38
Rot. Bonds2

About 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid

5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 43414812) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID43414812
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H14N2O4/c15-9-3-5-14(6-4-9)11(16)8-1-2-10(12(17)18)13-7-8/h1-2,7,9,15H,3-6H2,(H,17,18)
InChIKeyBJEACBJGVAONQR-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119134248
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 43414812) is 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCC(O)CC2)cn1.
What is the InChIKey of 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is BJEACBJGVAONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-9-3-5-14(6-4-9)11(16)8-1-2-10(12(17)18)13-7-8/h1-2,7,9,15H,3-6H2,(H,17,18).
What are the key properties of 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid?
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).