1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone

C19H23F4N5O — CID 56510292

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C19H23F4N5O/c1-25(12-17-24-6-7-28(17)14-19(21,22)23)13-18(29)27-10-8-26(9-11-27)16-4-2-15(20)3-5-16/h2-7H,8-14H2,1H3
InChIKeyZDQCKBFNXUXEEE-UHFFFAOYSA-N
MW413.42 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone (PubChem CID 56510292) has the molecular formula C19H23F4N5O and a molecular weight of 413.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone
PubChem CID56510292
Molecular FormulaC19H23F4N5O
Molecular Weight413.42 g/mol
Exact Mass413.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C19H23F4N5O/c1-25(12-17-24-6-7-28(17)14-19(21,22)23)13-18(29)27-10-8-26(9-11-27)16-4-2-15(20)3-5-16/h2-7H,8-14H2,1H3
InChIKeyZDQCKBFNXUXEEE-UHFFFAOYSA-N
XLogP2.37
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone 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

3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
2-[(4-bromophenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 32516891
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
CID 56509258
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113161797
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55386626
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone (CID 56510292) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone is CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1nccn1CC(F)(F)F.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone?
The InChIKey is ZDQCKBFNXUXEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N5O/c1-25(12-17-24-6-7-28(17)14-19(21,22)23)13-18(29)27-10-8-26(9-11-27)16-4-2-15(20)3-5-16/h2-7H,8-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone has a molecular weight of 413.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone is sourced from PubChem (CID 56510292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).