5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

C20H26N2O2 — CID 82218512

IUPAC5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-6-8-17(9-7-15)12-22-14-20(24)19(23)11-18(22)13-21-10-4-3-5-16(21)2/h6-9,11,14,16,24H,3-5,10,12-13H2,1-2H3
InChIKeyQROWMAQDBXNNIA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.29
Rot. Bonds4

About 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82218512) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82218512
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2C)cc1
InChIInChI=1S/C20H26N2O2/c1-15-6-8-17(9-7-15)12-22-14-20(24)19(23)11-18(22)13-21-10-4-3-5-16(21)2/h6-9,11,14,16,24H,3-5,10,12-13H2,1-2H3
InChIKeyQROWMAQDBXNNIA-UHFFFAOYSA-N
XLogP3.29
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224
1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218445
2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid
CID 82218083
5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-(1-phenylethyl)pyridin-4-one
CID 82218571
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
CID 156723320
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82218512) is 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is Cc1ccc(Cn2cc(O)c(=O)cc2CN2CCCCC2C)cc1.
What is the InChIKey of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is QROWMAQDBXNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-6-8-17(9-7-15)12-22-14-20(24)19(23)11-18(22)13-21-10-4-3-5-16(21)2/h6-9,11,14,16,24H,3-5,10,12-13H2,1-2H3.
What are the key properties of 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 326.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-methylphenyl)methyl]-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82218512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).