1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

C13H16N2O4 — CID 61320199

IUPAC1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C13H16N2O4/c16-11-3-1-2-6-15(11)9-12(17)14-7-4-10(5-8-14)13(18)19/h1-3,6,10H,4-5,7-9H2,(H,18,19)
InChIKeyICJRBXLBSMOALK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 61320199) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
PubChem CID61320199
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C13H16N2O4/c16-11-3-1-2-6-15(11)9-12(17)14-7-4-10(5-8-14)13(18)19/h1-3,6,10H,4-5,7-9H2,(H,18,19)
InChIKeyICJRBXLBSMOALK-UHFFFAOYSA-N
XLogP0.17
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Ethyl-4-fluoro-2-oxo-3-pyridinyl)piperidine-4-carboxylic acid
CID 178099168
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxylic acid
CID 39041785
Methyl 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxylate
CID 133959664
1-[(1-Methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 69441423
1-[2-(2,5-Dioxopyrrol-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172240139
1-[(2E,4E)-hexa-2,4-dienoyl]piperidine-4-carboxylic acid
CID 24700349
1-[2-(5-Nitro-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 38896392
4-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151151
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
CID 43170476
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 43245238
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 43354232
1-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (CID 61320199) is 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is ICJRBXLBSMOALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-3-1-2-6-15(11)9-12(17)14-7-4-10(5-8-14)13(18)19/h1-3,6,10H,4-5,7-9H2,(H,18,19).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61320199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).