1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one

C15H20F3N3O — CID 109017301

IUPAC1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
SMILESCN1CCN(C(=O)CCNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-20-8-10-21(11-9-20)14(22)6-7-19-13-5-3-2-4-12(13)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyHSLHWQWGOVZNBV-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.28
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one (PubChem CID 109017301) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
PubChem CID109017301
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
SMILESCN1CCN(C(=O)CCNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-20-8-10-21(11-9-20)14(22)6-7-19-13-5-3-2-4-12(13)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyHSLHWQWGOVZNBV-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-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-(4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109014417
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
N-[3-oxo-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propyl]acetamide
CID 9204189
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109004921
1-(4-acetylpiperazin-1-yl)-3-[2-chloro-5-(trifluoromethyl)anilino]propan-1-one
CID 109018223

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one (CID 109017301) is 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one is CN1CCN(C(=O)CCNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one?
The InChIKey is HSLHWQWGOVZNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-20-8-10-21(11-9-20)14(22)6-7-19-13-5-3-2-4-12(13)15(16,17)18/h2-5,19H,6-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one has a molecular weight of 315.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one is sourced from PubChem (CID 109017301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).