2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone

C14H20FN3O — CID 79054916

IUPAC2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(F)cc(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11-7-12(15)9-13(8-11)16-10-14(19)18-5-3-17(2)4-6-18/h7-9,16H,3-6,10H2,1-2H3
InChIKeyXUOULUFPVXGLKH-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.32
Rot. Bonds3

About 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 79054916) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID79054916
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(F)cc(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11-7-12(15)9-13(8-11)16-10-14(19)18-5-3-17(2)4-6-18/h7-9,16H,3-6,10H2,1-2H3
InChIKeyXUOULUFPVXGLKH-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103255963
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
2-(5-bromo-2,4-difluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 102853568
2-(2-chloro-5-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107528417
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 79054916) is 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone is Cc1cc(F)cc(NCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XUOULUFPVXGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11-7-12(15)9-13(8-11)16-10-14(19)18-5-3-17(2)4-6-18/h7-9,16H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79054916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).