1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C15H22N2O3 — CID 170511596

IUPAC1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCN1CCCCC1Cn1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C15H22N2O3/c1-3-16-8-5-4-6-12(16)10-17-9-7-11(2)13(14(17)18)15(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyLWXYLPMKECFGKQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170511596) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170511596
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCN1CCCCC1Cn1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C15H22N2O3/c1-3-16-8-5-4-6-12(16)10-17-9-7-11(2)13(14(17)18)15(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyLWXYLPMKECFGKQ-UHFFFAOYSA-N
XLogP1.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
CID 170503371
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16785578
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
1,2-diethylpiperidine
CID 19604037
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170512055
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
(1-ethylazepan-2-yl)methanol
CID 2849413

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170511596) is 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid is CCN1CCCCC1Cn1ccc(C)c(C(=O)O)c1=O.
What is the InChIKey of 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is LWXYLPMKECFGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-8-5-4-6-12(16)10-17-9-7-11(2)13(14(17)18)15(19)20/h7,9,12H,3-6,8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170511596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).