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

C21H28N2O3 — CID 54675965

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O3/c1-16-15-18(24)19(21(25)23(16)13-14-26-2)20(17-9-5-3-6-10-17)22-11-7-4-8-12-22/h3,5-6,9-10,15,20,24H,4,7-8,11-14H2,1-2H3
InChIKeyBAXOUPQWJBKNEX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.08
Rot. Bonds6

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

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one (PubChem CID 54675965) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
PubChem CID54675965
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O3/c1-16-15-18(24)19(21(25)23(16)13-14-26-2)20(17-9-5-3-6-10-17)22-11-7-4-8-12-22/h3,5-6,9-10,15,20,24H,4,7-8,11-14H2,1-2H3
InChIKeyBAXOUPQWJBKNEX-UHFFFAOYSA-N
XLogP3.08
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one (CID 54675965) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccccc2)N2CCCCC2)c1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The InChIKey is BAXOUPQWJBKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-15-18(24)19(21(25)23(16)13-14-26-2)20(17-9-5-3-6-10-17)22-11-7-4-8-12-22/h3,5-6,9-10,15,20,24H,4,7-8,11-14H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).