5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid

C14H18N2O4 — CID 79794863

IUPAC5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
SMILESCC(Oc1ccc(C(=O)O)nc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-10(13(17)16-7-3-2-4-8-16)20-11-5-6-12(14(18)19)15-9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyAXAOUKDCENXTPX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.56
Rot. Bonds4

About 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid

5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid (PubChem CID 79794863) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
PubChem CID79794863
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
SMILESCC(Oc1ccc(C(=O)O)nc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-10(13(17)16-7-3-2-4-8-16)20-11-5-6-12(14(18)19)15-9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyAXAOUKDCENXTPX-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-1-(azepan-1-yl)propan-1-one
CID 79790443
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79781284
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
1-(azepan-1-yl)-2-[6-(2-methylpyrimidin-5-yl)naphthalen-2-yl]oxypropan-1-one
CID 175644301

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid?
The IUPAC name of 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid (CID 79794863) is 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid is CC(Oc1ccc(C(=O)O)nc1)C(=O)N1CCCCC1.
What is the InChIKey of 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid?
The InChIKey is AXAOUKDCENXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(13(17)16-7-3-2-4-8-16)20-11-5-6-12(14(18)19)15-9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid?
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 79794863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).