1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

C17H24F3N3O — CID 99788111

IUPAC1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCN1CCN(C(=O)CCN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-21-9-11-23(12-10-21)16(24)7-8-22(2)13-14-5-3-4-6-15(14)17(18,19)20/h3-6H,7-13H2,1-2H3
InChIKeyQOVPJFDMOQEPJR-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (PubChem CID 99788111) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
PubChem CID99788111
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
SMILESCN1CCN(C(=O)CCN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-21-9-11-23(12-10-21)16(24)7-8-22(2)13-14-5-3-4-6-15(14)17(18,19)20/h3-6H,7-13H2,1-2H3
InChIKeyQOVPJFDMOQEPJR-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543965
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
N-methyl-2-(1-methylpiperidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154891769
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113120919
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-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one (CID 99788111) is 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is CN1CCN(C(=O)CCN(C)Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
The InChIKey is QOVPJFDMOQEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-21-9-11-23(12-10-21)16(24)7-8-22(2)13-14-5-3-4-6-15(14)17(18,19)20/h3-6H,7-13H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one has a molecular weight of 343.39 g/mol, XLogP of 2.30, 5 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)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one is sourced from PubChem (CID 99788111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).