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

C22H29FN2O3 — CID 54703765

IUPAC3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(F)cc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C22H29FN2O3/c1-15-8-10-24(11-9-15)21(17-4-6-18(23)7-5-17)20-19(26)14-16(2)25(22(20)27)12-13-28-3/h4-7,14-15,21,26H,8-13H2,1-3H3
InChIKeyPZCOMTAOICELNI-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.47
Rot. Bonds6

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

3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54703765) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54703765
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(F)cc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C22H29FN2O3/c1-15-8-10-24(11-9-15)21(17-4-6-18(23)7-5-17)20-19(26)14-16(2)25(22(20)27)12-13-28-3/h4-7,14-15,21,26H,8-13H2,1-3H3
InChIKeyPZCOMTAOICELNI-UHFFFAOYSA-N
XLogP3.47
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((4-ethylpiperazin-1-yl)(phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703743
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-(phenyl(4-phenylpiperazin-1-yl)methyl)pyridin-2(1H)-one
CID 54703744
3-((4-(2-fluorophenyl)piperazin-1-yl)(phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703746
3-[(2-Chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703753
3-[(3-Chlorophenyl)(4-ethylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703756
3-[(4-Ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703760
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 54675965
3-(4-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682158
3-{[4-(4-Fluorophenyl)piperazin-1-YL](phenyl)methyl}-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54675966
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703741
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703742
4-hydroxy-3-((4-(2-hydroxyethyl)piperazin-1-yl)(phenyl)methyl)-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703745

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54703765) is 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccc(F)cc2)N2CCC(C)CC2)c1=O.
What is the InChIKey of 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is PZCOMTAOICELNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-15-8-10-24(11-9-15)21(17-4-6-18(23)7-5-17)20-19(26)14-16(2)25(22(20)27)12-13-28-3/h4-7,14-15,21,26H,8-13H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 388.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54703765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).