1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

C15H20N2O4 — CID 63133683

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC(C)(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-7-10(2)16-12(18)11(9)13(19)17-6-4-5-15(3,8-17)14(20)21/h7H,4-6,8H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyWWKTVIJRQVGROJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds2

About 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133683) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63133683
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC(C)(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-7-10(2)16-12(18)11(9)13(19)17-6-4-5-15(3,8-17)14(20)21/h7H,4-6,8H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyWWKTVIJRQVGROJ-UHFFFAOYSA-N
XLogP1.32
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63133683) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CCCC(C)(C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WWKTVIJRQVGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-10(2)16-12(18)11(9)13(19)17-6-4-5-15(3,8-17)14(20)21/h7H,4-6,8H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).