4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one

C23H32N2O3S — CID 54721042

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C23H32N2O3S/c1-16-9-11-24(12-10-16)22(18-5-7-19(29-4)8-6-18)21-20(26)15-17(2)25(23(21)27)13-14-28-3/h5-8,15-16,22,26H,9-14H2,1-4H3
InChIKeyVJZWFTKNDQACDV-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.05
Rot. Bonds7

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one (PubChem CID 54721042) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one
PubChem CID54721042
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C23H32N2O3S/c1-16-9-11-24(12-10-16)22(18-5-7-19(29-4)8-6-18)21-20(26)15-17(2)25(23(21)27)13-14-28-3/h5-8,15-16,22,26H,9-14H2,1-4H3
InChIKeyVJZWFTKNDQACDV-UHFFFAOYSA-N
XLogP4.05
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one (CID 54721042) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCC(C)CC2)c1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one?
The InChIKey is VJZWFTKNDQACDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16-9-11-24(12-10-16)22(18-5-7-19(29-4)8-6-18)21-20(26)15-17(2)25(23(21)27)13-14-28-3/h5-8,15-16,22,26H,9-14H2,1-4H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one has a molecular weight of 416.59 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 54721042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).