2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid

C13H16N2O4 — CID 62689724

IUPAC2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c16-11(17)7-9-3-2-6-15(8-9)13(19)10-4-1-5-14-12(10)18/h1,4-5,9H,2-3,6-8H2,(H,14,18)(H,16,17)
InChIKeyUWFFOHJJVPRYPI-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds3

About 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62689724) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62689724
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c16-11(17)7-9-3-2-6-15(8-9)13(19)10-4-1-5-14-12(10)18/h1,4-5,9H,2-3,6-8H2,(H,14,18)(H,16,17)
InChIKeyUWFFOHJJVPRYPI-UHFFFAOYSA-N
XLogP0.70
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24693686
2-[1-[(2E,4E)-5-(cyclohexylcarbamoyl)-6-(propylamino)hepta-2,4,6-trien-2-yl]piperidin-3-yl]acetic acid
CID 89049764
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 24694198
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24703292
(3R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179562
(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179564
(2S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201529
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201531
6-[3-(3-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150888
4-[3-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
CID 39150918
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
CID 43170476

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (CID 62689724) is 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is UWFFOHJJVPRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11(17)7-9-3-2-6-15(8-9)13(19)10-4-1-5-14-12(10)18/h1,4-5,9H,2-3,6-8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).