4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one

C14H22N2O — CID 53191773

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCCC1CCCCN1Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H22N2O/c1-3-13-6-4-5-8-16(13)11-12-7-9-15(2)14(17)10-12/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyMKRAFLYVMHQJHM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds3

About 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one

4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one (PubChem CID 53191773) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
PubChem CID53191773
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCCC1CCCCN1Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H22N2O/c1-3-13-6-4-5-8-16(13)11-12-7-9-15(2)14(17)10-12/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyMKRAFLYVMHQJHM-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

5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191673
4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94632207
6-tert-butyl-2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924053
2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924882
N-cyclopropyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 47377026
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758596
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one (CID 53191773) is 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one is CCC1CCCCN1Cc1ccn(C)c(=O)c1.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
The InChIKey is MKRAFLYVMHQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13-6-4-5-8-16(13)11-12-7-9-15(2)14(17)10-12/h7,9-10,13H,3-6,8,11H2,1-2H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one?
4-[(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 4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).