4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid

C12H16N2O3 — CID 69188926

IUPAC4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c[nH]c(=O)c1N1CCCCC1
InChIInChI=1S/C12H16N2O3/c1-8-9(12(16)17)7-13-11(15)10(8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyRNGQQXXFVLAOLB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds2

About 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid

4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid (PubChem CID 69188926) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid
PubChem CID69188926
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c[nH]c(=O)c1N1CCCCC1
InChIInChI=1S/C12H16N2O3/c1-8-9(12(16)17)7-13-11(15)10(8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyRNGQQXXFVLAOLB-UHFFFAOYSA-N
XLogP1.37
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid (CID 69188926) is 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid is Cc1c(C(=O)O)c[nH]c(=O)c1N1CCCCC1.
What is the InChIKey of 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is RNGQQXXFVLAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-9(12(16)17)7-13-11(15)10(8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid?
4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-5-piperidin-1-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 69188926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).