methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate

C19H22N2O4 — CID 14010737

IUPACmethyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(O)cc2C)c(C2CCNCC2)cc1=O
InChIInChI=1S/C19H22N2O4/c1-12-9-14(22)3-4-16(12)21-11-15(19(24)25-2)18(23)10-17(21)13-5-7-20-8-6-13/h3-4,9-11,13,20,22H,5-8H2,1-2H3
InChIKeyCFGGUVFVBDDRNZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.11
Rot. Bonds3

About methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate

methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate (PubChem CID 14010737) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate
PubChem CID14010737
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(O)cc2C)c(C2CCNCC2)cc1=O
InChIInChI=1S/C19H22N2O4/c1-12-9-14(22)3-4-16(12)21-11-15(19(24)25-2)18(23)10-17(21)13-5-7-20-8-6-13/h3-4,9-11,13,20,22H,5-8H2,1-2H3
InChIKeyCFGGUVFVBDDRNZ-UHFFFAOYSA-N
XLogP2.11
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate (CID 14010737) is methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate is COC(=O)c1cn(-c2ccc(O)cc2C)c(C2CCNCC2)cc1=O.
What is the InChIKey of methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate?
The InChIKey is CFGGUVFVBDDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-9-14(22)3-4-16(12)21-11-15(19(24)25-2)18(23)10-17(21)13-5-7-20-8-6-13/h3-4,9-11,13,20,22H,5-8H2,1-2H3.
What are the key properties of methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate?
methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 14010737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).