1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid

C12H14N2O4 — CID 63850646

IUPAC1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-5-9(6-13-7-10)11(16)14-3-1-8(2-4-14)12(17)18/h5-8,15H,1-4H2,(H,17,18)
InChIKeyFLJISDAYTVQVJQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.72
Rot. Bonds2

About 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid

1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63850646) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID63850646
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-5-9(6-13-7-10)11(16)14-3-1-8(2-4-14)12(17)18/h5-8,15H,1-4H2,(H,17,18)
InChIKeyFLJISDAYTVQVJQ-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

(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63860956

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid (CID 63850646) is 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FLJISDAYTVQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-5-9(6-13-7-10)11(16)14-3-1-8(2-4-14)12(17)18/h5-8,15H,1-4H2,(H,17,18).
What are the key properties of 1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid?
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-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-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63850646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).