6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid

C13H18N2O3 — CID 30056609

IUPAC6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCN2CCCCC2)c1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(13(17)18)10-15(12)9-8-14-6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyFGJPUWMEWFJWGA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds4

About 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid

6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid (PubChem CID 30056609) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
PubChem CID30056609
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCN2CCCCC2)c1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(13(17)18)10-15(12)9-8-14-6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyFGJPUWMEWFJWGA-UHFFFAOYSA-N
XLogP1.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 16679393
6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 63316438
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
1-(2-ethylbutyl)-6-oxopyridine-3-carboxylic acid
CID 82928739
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
CID 29276110
6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
CID 55173678
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid (CID 30056609) is 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCN2CCCCC2)c1.
What is the InChIKey of 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid?
The InChIKey is FGJPUWMEWFJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-5-4-11(13(17)18)10-15(12)9-8-14-6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18).
What are the key properties of 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid?
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 30056609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).