3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C24H24F3N3O3 — CID 110557217

IUPAC3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(OC)cc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C24H24F3N3O3/c1-3-28-11-13-29(14-12-28)21-20(16-7-9-19(33-2)10-8-16)22(31)30(23(21)32)18-6-4-5-17(15-18)24(25,26)27/h4-10,15H,3,11-14H2,1-2H3
InChIKeyGHPCWMQVWHTVNE-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.64
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110557217) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110557217
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(OC)cc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C24H24F3N3O3/c1-3-28-11-13-29(14-12-28)21-20(16-7-9-19(33-2)10-8-16)22(31)30(23(21)32)18-6-4-5-17(15-18)24(25,26)27/h4-10,15H,3,11-14H2,1-2H3
InChIKeyGHPCWMQVWHTVNE-UHFFFAOYSA-N
XLogP3.64
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557674
1-(3,4-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557336
3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110557862
3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575861
1-(3-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545239
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110558379
1-ethyl-3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556315
3-(4-chlorophenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110570484
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110570915
3-(4-ethylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557994
1-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557924
1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544987

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110557217) is 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is CCN1CCN(C2=C(c3ccc(OC)cc3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is GHPCWMQVWHTVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-3-28-11-13-29(14-12-28)21-20(16-7-9-19(33-2)10-8-16)22(31)30(23(21)32)18-6-4-5-17(15-18)24(25,26)27/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 459.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110557217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).