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

C25H28FN3O2 — CID 54729000

IUPAC1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H28FN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3
InChIKeyZATHFLILBJKCSG-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.39
Rot. Bonds5

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

1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54729000) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54729000
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H28FN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3
InChIKeyZATHFLILBJKCSG-UHFFFAOYSA-N
XLogP3.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54729000) is 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c(C(c2cccc(F)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is ZATHFLILBJKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3.
What are the key properties of 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 421.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54729000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).