1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone

C24H28F4N4O — CID 37113340

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H28F4N4O/c25-21-3-1-2-4-22(21)31-13-15-32(16-14-31)23(33)18-30-11-9-29(10-12-30)17-19-5-7-20(8-6-19)24(26,27)28/h1-8H,9-18H2
InChIKeyBJAWXKLJZRSYNN-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 37113340) has the molecular formula C24H28F4N4O and a molecular weight of 464.51 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID37113340
Molecular FormulaC24H28F4N4O
Molecular Weight464.51 g/mol
Exact Mass464.22
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H28F4N4O/c25-21-3-1-2-4-22(21)31-13-15-32(16-14-31)23(33)18-30-11-9-29(10-12-30)17-19-5-7-20(8-6-19)24(26,27)28/h1-8H,9-18H2
InChIKeyBJAWXKLJZRSYNN-UHFFFAOYSA-N
XLogP3.31
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 60510749
1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 78840368
2-[3,5-bis(trifluoromethyl)phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 55401372
3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one
CID 26787483
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 43922439
2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
1-benzyl-3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]urea
CID 42572867

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone (CID 37113340) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is BJAWXKLJZRSYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O/c25-21-3-1-2-4-22(21)31-13-15-32(16-14-31)23(33)18-30-11-9-29(10-12-30)17-19-5-7-20(8-6-19)24(26,27)28/h1-8H,9-18H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 464.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 37113340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).