1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone

C16H22F3N3O — CID 171907358

IUPAC1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCN1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-20-7-9-22(10-8-20)15(23)12-21(2)11-13-5-3-4-6-14(13)16(17,18)19/h3-6H,7-12H2,1-2H3
InChIKeyLATBIQXRNCIVSQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.91
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone

1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone (PubChem CID 171907358) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
PubChem CID171907358
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCN1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-20-7-9-22(10-8-20)15(23)12-21(2)11-13-5-3-4-6-14(13)16(17,18)19/h3-6H,7-12H2,1-2H3
InChIKeyLATBIQXRNCIVSQ-UHFFFAOYSA-N
XLogP1.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 24664953
N-methyl-2-(1-methylpiperidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154891769
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543965
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 24664906
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 55827480
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone (CID 171907358) is 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone is CN1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The InChIKey is LATBIQXRNCIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-20-7-9-22(10-8-20)15(23)12-21(2)11-13-5-3-4-6-14(13)16(17,18)19/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone has a molecular weight of 329.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone is sourced from PubChem (CID 171907358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).