4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid

C11H14N2O3 — CID 68873862

IUPAC4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H14N2O3/c14-10-9(2-1-5-12-10)8-3-6-13(7-4-8)11(15)16/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,15,16)
InChIKeyZWCHJBOFNJLIPH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.23
Rot. Bonds1

About 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid

4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid (PubChem CID 68873862) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid
PubChem CID68873862
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H14N2O3/c14-10-9(2-1-5-12-10)8-3-6-13(7-4-8)11(15)16/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,15,16)
InChIKeyZWCHJBOFNJLIPH-UHFFFAOYSA-N
XLogP1.23
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid
CID 169792632
1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
4-(2-oxopiperidin-4-yl)-1H-pyridin-2-one
CID 54259257
3-(2-oxopiperidin-3-yl)-1H-pyridin-2-one
CID 54397635
3-Piperidin-4-ylpyridin-2(1H)-one
CID 59722661
4-oxo-3-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid
CID 67330096
3-(1-Boc-4-piperidyl)pyridin-2(1H)-one
CID 68874784
CID 89167024
CID 89167024
4-(6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylic acid
CID 89713582
4-(1-Methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid
CID 90713217
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
CID 118303113

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid (CID 68873862) is 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc[nH]c2=O)CC1.
What is the InChIKey of 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is ZWCHJBOFNJLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-9(2-1-5-12-10)8-3-6-13(7-4-8)11(15)16/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,15,16).
What are the key properties of 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid?
4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-pyridin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).