1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C21H20F3N3O3 — CID 122174357

IUPAC1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)14-2-1-3-16(12-14)25-8-10-26(11-9-25)18-13-19(29)27(20(18)30)15-4-6-17(28)7-5-15/h1-7,12,18,28H,8-11,13H2
InChIKeyFEYITCZJRLNBMO-UHFFFAOYSA-N
MW419.40 g/mol
LogP2.87
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 122174357) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID122174357
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)14-2-1-3-16(12-14)25-8-10-26(11-9-25)18-13-19(29)27(20(18)30)15-4-6-17(28)7-5-15/h1-7,12,18,28H,8-11,13H2
InChIKeyFEYITCZJRLNBMO-UHFFFAOYSA-N
XLogP2.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Malic Enzyme inhibitor ME1
CID 2936632
3-{4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 661745
1-Benzyl-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione
CID 4364255
1-Benzyl-3-(4-(2-hydroxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione
CID 16196490
1-(3-Chloro-4-methylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 44407058
1-Benzyl-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 44407147
1-(2,3-Dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8690884
1-[4-(4-Hydroxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 9502919
3-[3,3-Difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 118207406
1-[(4-Fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
CID 118207484
(3S)-3-[(3R,4R)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 118207516
(3R)-3-[(3R,4R)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 118207547

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 122174357) is 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is FEYITCZJRLNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)14-2-1-3-16(12-14)25-8-10-26(11-9-25)18-13-19(29)27(20(18)30)15-4-6-17(28)7-5-15/h1-7,12,18,28H,8-11,13H2.
What are the key properties of 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 419.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122174357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).