3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid

C15H20N2O4 — CID 61380296

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)COc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-10-6-11(2)8-17(7-10)13(18)9-21-12-4-3-5-16-14(12)15(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)
InChIKeyWNBPRUPHIJCHDT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.66
Rot. Bonds4

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 61380296) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID61380296
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)COc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-10-6-11(2)8-17(7-10)13(18)9-21-12-4-3-5-16-14(12)15(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20)
InChIKeyWNBPRUPHIJCHDT-UHFFFAOYSA-N
XLogP1.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81439719
[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid
CID 73257880
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 61380296) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid is CC1CC(C)CN(C(=O)COc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is WNBPRUPHIJCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-6-11(2)8-17(7-10)13(18)9-21-12-4-3-5-16-14(12)15(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).