5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one

C14H22N2O — CID 53191673

IUPAC5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCCC1CCCCN1Cc1ccc(=O)n(C)c1
InChIInChI=1S/C14H22N2O/c1-3-13-6-4-5-9-16(13)11-12-7-8-14(17)15(2)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyCIENDJZRYBZVIL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds3

About 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one

5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one (PubChem CID 53191673) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
PubChem CID53191673
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCCC1CCCCN1Cc1ccc(=O)n(C)c1
InChIInChI=1S/C14H22N2O/c1-3-13-6-4-5-9-16(13)11-12-7-8-14(17)15(2)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyCIENDJZRYBZVIL-UHFFFAOYSA-N
XLogP2.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one (CID 53191673) is 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one is CCC1CCCCN1Cc1ccc(=O)n(C)c1.
What is the InChIKey of 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The InChIKey is CIENDJZRYBZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13-6-4-5-9-16(13)11-12-7-8-14(17)15(2)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3.
What are the key properties of 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).