3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid

C14H18N2O4 — CID 63134123

IUPAC3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C14H18N2O4/c1-2-14(13(19)20)6-4-8-16(9-14)12(18)11-10(17)5-3-7-15-11/h3,5,7,17H,2,4,6,8-9H2,1H3,(H,19,20)
InChIKeyLKRNKYNHEOQSLD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.50
Rot. Bonds3

About 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid

3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63134123) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID63134123
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C14H18N2O4/c1-2-14(13(19)20)6-4-8-16(9-14)12(18)11-10(17)5-3-7-15-11/h3,5,7,17H,2,4,6,8-9H2,1H3,(H,19,20)
InChIKeyLKRNKYNHEOQSLD-UHFFFAOYSA-N
XLogP1.50
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
1-(3-bromopyridine-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 107517094
3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 63134182
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 107670785

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 63134123) is 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2ncccc2O)C1.
What is the InChIKey of 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LKRNKYNHEOQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-14(13(19)20)6-4-8-16(9-14)12(18)11-10(17)5-3-7-15-11/h3,5,7,17H,2,4,6,8-9H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63134123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).