1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone

C22H23F3N2O2 — CID 59382207

IUPAC1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCN(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H23F3N2O2/c1-16(28)18-7-3-4-8-19(18)21(29)27-14-12-26(13-15-27)11-10-17-6-2-5-9-20(17)22(23,24)25/h2-9H,10-15H2,1H3
InChIKeyVFTDLLHGWOLMIR-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone

1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone (PubChem CID 59382207) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
PubChem CID59382207
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCN(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H23F3N2O2/c1-16(28)18-7-3-4-8-19(18)21(29)27-14-12-26(13-15-27)11-10-17-6-2-5-9-20(17)22(23,24)25/h2-9H,10-15H2,1H3
InChIKeyVFTDLLHGWOLMIR-UHFFFAOYSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 19004319
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 59382114
[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl] (Z)-3-aminobut-2-enoate
CID 70416791
1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 66985068
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
2-oxo-2-[4-[2-oxo-2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethoxy]phenyl]acetic acid
CID 19004491
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]but-2-en-1-one
CID 111487178
1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108547592
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
ethyl 2-[2-(4-acetylpiperazin-1-yl)ethyl]benzoate
CID 54278341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone (CID 59382207) is 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCN(CCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The InChIKey is VFTDLLHGWOLMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-16(28)18-7-3-4-8-19(18)21(29)27-14-12-26(13-15-27)11-10-17-6-2-5-9-20(17)22(23,24)25/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone?
1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone has a molecular weight of 404.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 59382207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).