2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

C20H22F3N3O2 — CID 78698744

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22F3N3O2/c1-14(19(28)24-16-6-4-5-15(13-16)20(21,22)23)25-9-11-26(12-10-25)17-7-2-3-8-18(17)27/h2-8,13-14,27H,9-12H2,1H3,(H,24,28)
InChIKeyGSJGQCNUSQPZIB-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.56
Rot. Bonds4

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 78698744) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID78698744
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22F3N3O2/c1-14(19(28)24-16-6-4-5-15(13-16)20(21,22)23)25-9-11-26(12-10-25)17-7-2-3-8-18(17)27/h2-8,13-14,27H,9-12H2,1H3,(H,24,28)
InChIKeyGSJGQCNUSQPZIB-UHFFFAOYSA-N
XLogP3.56
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
N-(3-fluorophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55433883
(2S)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42012372
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
2-phenyl-2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42911831
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
(2S)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 30958520
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 78698744) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GSJGQCNUSQPZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-14(19(28)24-16-6-4-5-15(13-16)20(21,22)23)25-9-11-26(12-10-25)17-7-2-3-8-18(17)27/h2-8,13-14,27H,9-12H2,1H3,(H,24,28).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 78698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).