1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone

C14H20N2O2 — CID 112788689

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
SMILESCC1CC(C)CN(C(=O)COc2ccccn2)C1
InChIInChI=1S/C14H20N2O2/c1-11-7-12(2)9-16(8-11)14(17)10-18-13-5-3-4-6-15-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLUHGYFJHEZLPTH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone

1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone (PubChem CID 112788689) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
PubChem CID112788689
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
SMILESCC1CC(C)CN(C(=O)COc2ccccn2)C1
InChIInChI=1S/C14H20N2O2/c1-11-7-12(2)9-16(8-11)14(17)10-18-13-5-3-4-6-15-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLUHGYFJHEZLPTH-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380296
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid
CID 73257880
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
CID 46969298
2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81439719
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone (CID 112788689) is 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone is CC1CC(C)CN(C(=O)COc2ccccn2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone?
The InChIKey is LUHGYFJHEZLPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-12(2)9-16(8-11)14(17)10-18-13-5-3-4-6-15-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone has a molecular weight of 248.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone is sourced from PubChem (CID 112788689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).