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

C21H28FN3O2 — CID 54729071

IUPAC1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H28FN3O2/c1-4-23-9-11-24(12-10-23)20(16-7-6-8-17(22)14-16)19-18(26)13-15(3)25(5-2)21(19)27/h6-8,13-14,20,26H,4-5,9-12H2,1-3H3
InChIKeyWNOQHMOHWVCCJX-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.75
Rot. Bonds5

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

1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54729071) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54729071
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H28FN3O2/c1-4-23-9-11-24(12-10-23)20(16-7-6-8-17(22)14-16)19-18(26)13-15(3)25(5-2)21(19)27/h6-8,13-14,20,26H,4-5,9-12H2,1-3H3
InChIKeyWNOQHMOHWVCCJX-UHFFFAOYSA-N
XLogP2.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)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

Related Compounds

1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92762526
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
3-[(R)-(3-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739367
3-[(S)-(3-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 92774215
3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442
1-ethyl-3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739334
3-[(R)-(3-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739569
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54729071) is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCN1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1.
What is the InChIKey of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is WNOQHMOHWVCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-4-23-9-11-24(12-10-23)20(16-7-6-8-17(22)14-16)19-18(26)13-15(3)25(5-2)21(19)27/h6-8,13-14,20,26H,4-5,9-12H2,1-3H3.
What are the key properties of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 373.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54729071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).