1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid

C12H16N2O3 — CID 151020406

IUPAC1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCn1ccc(N2CCCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-10(7-11(13)15)14-5-2-3-9(8-14)12(16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)
InChIKeyLXYHZIBXAHIOPE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.69
Rot. Bonds2

About 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid

1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 151020406) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID151020406
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCn1ccc(N2CCCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-10(7-11(13)15)14-5-2-3-9(8-14)12(16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)
InChIKeyLXYHZIBXAHIOPE-UHFFFAOYSA-N
XLogP0.69
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid (CID 151020406) is 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid is Cn1ccc(N2CCCC(C(=O)O)C2)cc1=O.
What is the InChIKey of 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is LXYHZIBXAHIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-6-4-10(7-11(13)15)14-5-2-3-9(8-14)12(16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17).
What are the key properties of 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 151020406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).