3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one

C18H24N2OS — CID 67492595

IUPAC3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2sccc2CN2CCCCC2)c(C)[nH]c1=O
InChIInChI=1S/C18H24N2OS/c1-3-14-11-16(13(2)19-18(14)21)17-15(7-10-22-17)12-20-8-5-4-6-9-20/h7,10-11H,3-6,8-9,12H2,1-2H3,(H,19,21)
InChIKeyZNOOSOJPLBUOPE-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.96
Rot. Bonds4

About 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one

3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one (PubChem CID 67492595) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one
PubChem CID67492595
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2sccc2CN2CCCCC2)c(C)[nH]c1=O
InChIInChI=1S/C18H24N2OS/c1-3-14-11-16(13(2)19-18(14)21)17-15(7-10-22-17)12-20-8-5-4-6-9-20/h7,10-11H,3-6,8-9,12H2,1-2H3,(H,19,21)
InChIKeyZNOOSOJPLBUOPE-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one (CID 67492595) is 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one is CCc1cc(-c2sccc2CN2CCCCC2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one?
The InChIKey is ZNOOSOJPLBUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-14-11-16(13(2)19-18(14)21)17-15(7-10-22-17)12-20-8-5-4-6-9-20/h7,10-11H,3-6,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one?
3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one has a molecular weight of 316.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-[3-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 67492595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).