1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid

C12H14N2O4 — CID 113264935

IUPAC1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-7-9(1-4-13-10)11(16)14-5-2-8(3-6-14)12(17)18/h1,4,7-8H,2-3,5-6H2,(H,13,15)(H,17,18)
InChIKeyQIYQHAKRYVFVKB-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

About 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid

1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 113264935) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID113264935
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-7-9(1-4-13-10)11(16)14-5-2-8(3-6-14)12(17)18/h1,4,7-8H,2-3,5-6H2,(H,13,15)(H,17,18)
InChIKeyQIYQHAKRYVFVKB-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 113264935) is 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is QIYQHAKRYVFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-7-9(1-4-13-10)11(16)14-5-2-8(3-6-14)12(17)18/h1,4,7-8H,2-3,5-6H2,(H,13,15)(H,17,18).
What are the key properties of 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid?
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 113264935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).