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

C18H24N2O2S — CID 54692589

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2cccs2)N2CCCCC2)c1=O
InChIInChI=1S/C18H24N2O2S/c1-3-20-13(2)12-14(21)16(18(20)22)17(15-8-7-11-23-15)19-9-5-4-6-10-19/h7-8,11-12,17,21H,3-6,9-10H2,1-2H3
InChIKeyZHNRRHVEWUECIL-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.52
Rot. Bonds4

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

1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one (PubChem CID 54692589) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one
PubChem CID54692589
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2cccs2)N2CCCCC2)c1=O
InChIInChI=1S/C18H24N2O2S/c1-3-20-13(2)12-14(21)16(18(20)22)17(15-8-7-11-23-15)19-9-5-4-6-10-19/h7-8,11-12,17,21H,3-6,9-10H2,1-2H3
InChIKeyZHNRRHVEWUECIL-UHFFFAOYSA-N
XLogP3.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2886110
1-ethyl-4-hydroxy-6-methyl-3-((4-methylpiperidin-1-yl)(thiophen-2-yl)methyl)pyridin-2(1H)-one
CID 54692591
Ethyl 4-[(1-ethyl-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)(thiophen-2-yl)methyl]piperazine-1-carboxylate
CID 54692594
Ethyl 1-[(1-ethyl-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)(thiophen-2-yl)methyl]piperidine-4-carboxylate
CID 54692590
1-Ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
CID 54692592
3,3'-(thiophen-2-ylmethylene)bis(4-hydroxy-1,6-dimethylpyridin-2(1H)-one)
CID 54692785
1-Ethyl-4-hydroxy-6-methyl-3-{[4-(methylsulfanyl)phenyl](piperidin-1-YL)methyl}-1,2-dihydropyridin-2-one
CID 54729029
1-Ethyl-3-[(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729047
4-hydroxy-1,6-dimethyl-3-(2-thienylcarbonyl)-2(1H)-pyridinone
CID 135502034
4-Hydroxy-6-methyl-1-thiophen-2-ylmethyl-1H-pyridin-2-one
CID 54685834
(4S)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 873614
(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 873615

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one (CID 54692589) is 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one is CCn1c(C)cc(O)c(C(c2cccs2)N2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one?
The InChIKey is ZHNRRHVEWUECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-20-13(2)12-14(21)16(18(20)22)17(15-8-7-11-23-15)19-9-5-4-6-10-19/h7-8,11-12,17,21H,3-6,9-10H2,1-2H3.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one has a molecular weight of 332.47 g/mol, XLogP of 3.52, 4 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-[piperidin-1-yl(thiophen-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54692589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).