2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide

C22H26F3N3O3 — CID 55370406

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H26F3N3O3/c1-17(21(29)26-18-7-9-20(10-8-18)31-22(23,24)25)28-13-11-27(12-14-28)15-16-30-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKeyQYMAUIVTWSHGBN-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.61
Rot. Bonds8

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 55370406) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID55370406
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H26F3N3O3/c1-17(21(29)26-18-7-9-20(10-8-18)31-22(23,24)25)28-13-11-27(12-14-28)15-16-30-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKeyQYMAUIVTWSHGBN-UHFFFAOYSA-N
XLogP3.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9390700
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 55370406) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is QYMAUIVTWSHGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-17(21(29)26-18-7-9-20(10-8-18)31-22(23,24)25)28-13-11-27(12-14-28)15-16-30-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,26,29).
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 437.46 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 55370406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).