1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one

C21H28N2O2S — CID 54729029

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O2S/c1-4-23-15(2)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)16-8-10-17(26-3)11-9-16/h8-11,14,20,24H,4-7,12-13H2,1-3H3
InChIKeyKSWBEOWHZNYQMA-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.18
Rot. Bonds5

About 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one

1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one (PubChem CID 54729029) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
PubChem CID54729029
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O2S/c1-4-23-15(2)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)16-8-10-17(26-3)11-9-16/h8-11,14,20,24H,4-7,12-13H2,1-3H3
InChIKeyKSWBEOWHZNYQMA-UHFFFAOYSA-N
XLogP4.18
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 54675965
3-((4-ethylpiperazin-1-yl)(4-(methylthio)phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703770
1-ethyl-3-[(o-fluorophenyl)(4-methyl-1-piperazinyl)methyl]-4-hydroxy-6-methyl-2(1H)-pyridinone
CID 54692533
Ethyl 4-((1-ethyl-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)(4-(methylthio)phenyl)methyl)piperazine-1-carboxylate
CID 54692554
1-ethyl-4-hydroxy-3-((4-(2-hydroxyethyl)piperazin-1-yl)(4-(methylthio)phenyl)methyl)-6-methylpyridin-2(1H)-one
CID 54692553
1-ethyl-4-hydroxy-6-methyl-3-((4-methylpiperidin-1-yl)(thiophen-2-yl)methyl)pyridin-2(1H)-one
CID 54692591
1-ethyl-3-((3-fluorophenyl)(4-methylpiperazin-1-yl)methyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54692535
1-ethyl-3-((4-fluorophenyl)(4-methylpiperazin-1-yl)methyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54692541
1-ethyl-3-((4-(2-fluorophenyl)piperazin-1-yl)(4-(methylthio)phenyl)methyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54692555
1-Ethyl-3-[(4-ethylpiperazin-1-YL)(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-1,2-dihydropyridin-2-one
CID 54729069
1-Ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729090
1-ethyl-4-hydroxy-6-methyl-3-(piperidin-1-yl(thiophen-2-yl)methyl)pyridin-2(1H)-one
CID 54692589

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one (CID 54729029) is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one is CCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The InChIKey is KSWBEOWHZNYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-4-23-15(2)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)16-8-10-17(26-3)11-9-16/h8-11,14,20,24H,4-7,12-13H2,1-3H3.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one has a molecular weight of 372.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54729029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).