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

C19H26N2O2S — CID 54692591

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2cccs2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C19H26N2O2S/c1-4-21-14(3)12-15(22)17(19(21)23)18(16-6-5-11-24-16)20-9-7-13(2)8-10-20/h5-6,11-13,18,22H,4,7-10H2,1-3H3
InChIKeyRYCTXYPXUCHORG-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.77
Rot. Bonds4

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

1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one (PubChem CID 54692591) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
PubChem CID54692591
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2cccs2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C19H26N2O2S/c1-4-21-14(3)12-15(22)17(19(21)23)18(16-6-5-11-24-16)20-9-7-13(2)8-10-20/h5-6,11-13,18,22H,4,7-10H2,1-3H3
InChIKeyRYCTXYPXUCHORG-UHFFFAOYSA-N
XLogP3.77
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one (CID 54692591) is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one is CCn1c(C)cc(O)c(C(c2cccs2)N2CCC(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The InChIKey is RYCTXYPXUCHORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-21-14(3)12-15(22)17(19(21)23)18(16-6-5-11-24-16)20-9-7-13(2)8-10-20/h5-6,11-13,18,22H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one has a molecular weight of 346.50 g/mol, XLogP of 3.77, 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-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54692591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).