3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C23H32N2O4 — CID 92713438

IUPAC3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C23H32N2O4/c1-4-29-19-10-8-18(9-11-19)22(24-12-6-5-7-13-24)21-20(26)16-17(2)25(23(21)27)14-15-28-3/h8-11,16,22,26H,4-7,12-15H2,1-3H3/t22-/m0/s1
InChIKeyFKDQWQWWHDXZCN-QFIPXVFZSA-N
MW400.52 g/mol
LogP3.48
Rot. Bonds8

About 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 92713438) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID92713438
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C23H32N2O4/c1-4-29-19-10-8-18(9-11-19)22(24-12-6-5-7-13-24)21-20(26)16-17(2)25(23(21)27)14-15-28-3/h8-11,16,22,26H,4-7,12-15H2,1-3H3/t22-/m0/s1
InChIKeyFKDQWQWWHDXZCN-QFIPXVFZSA-N
XLogP3.48
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one with MolForge

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one
CID 54739615
3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739575
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
3-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739499
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one
CID 54721042
ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 54739504
3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54729241
3-[(S)-(4-benzylpiperidin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92526367
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739605
3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54692623

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 92713438) is 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is CCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is FKDQWQWWHDXZCN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-4-29-19-10-8-18(9-11-19)22(24-12-6-5-7-13-24)21-20(26)16-17(2)25(23(21)27)14-15-28-3/h8-11,16,22,26H,4-7,12-15H2,1-3H3/t22-/m0/s1.
What are the key properties of 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 400.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 92713438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).