3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid

C13H16N2O4 — CID 61380056

IUPAC3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C13H16N2O4/c16-11(15-7-2-1-3-8-15)9-19-10-5-4-6-14-12(10)13(17)18/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeySGJRVYXTUVFARK-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.17
Rot. Bonds4

About 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid

3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid (PubChem CID 61380056) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
PubChem CID61380056
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C13H16N2O4/c16-11(15-7-2-1-3-8-15)9-19-10-5-4-6-14-12(10)13(17)18/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeySGJRVYXTUVFARK-UHFFFAOYSA-N
XLogP1.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380296
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid (CID 61380056) is 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid?
The InChIKey is SGJRVYXTUVFARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11(15-7-2-1-3-8-15)9-19-10-5-4-6-14-12(10)13(17)18/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid?
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).