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

C19H27N2O2S+ — CID 54720798

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCC(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/p+1/t18-/m0/s1
InChIKeyRYCTXYPXUCHORG-SFHVURJKSA-O
MW347.50 g/mol
LogP2.35
Rot. Bonds4

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

1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one (PubChem CID 54720798) has the molecular formula C19H27N2O2S+ and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
PubChem CID54720798
Molecular FormulaC19H27N2O2S+
Molecular Weight347.50 g/mol
Exact Mass347.18
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCC(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/p+1/t18-/m0/s1
InChIKeyRYCTXYPXUCHORG-SFHVURJKSA-O
XLogP2.35
TPSA46.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 93478795
1-ethyl-4-hydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]-6-methylpyridin-2-one
CID 54692593
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703741
1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54692533
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692670
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one (CID 54720798) is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one is CCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCC(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
The InChIKey is RYCTXYPXUCHORG-SFHVURJKSA-O. 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/p+1/t18-/m0/s1.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one has a molecular weight of 347.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).