3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

C24H24F3N3O3 — CID 110558360

IUPAC3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C24H24F3N3O3/c1-28-13-11-17(12-14-28)29(2)21-20(16-7-4-3-5-8-16)22(31)30(23(21)32)18-9-6-10-19(15-18)33-24(25,26)27/h3-10,15,17H,11-14H2,1-2H3
InChIKeyILUMBIINUXBDAO-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.90
Rot. Bonds5

About 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 110558360) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID110558360
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C24H24F3N3O3/c1-28-13-11-17(12-14-28)29(2)21-20(16-7-4-3-5-8-16)22(31)30(23(21)32)18-9-6-10-19(15-18)33-24(25,26)27/h3-10,15,17H,11-14H2,1-2H3
InChIKeyILUMBIINUXBDAO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110570872
3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
CID 110547621
1-(2,3-dimethylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110560986
N-[4-[4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110563448
N-[4-[3-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-4-phenylpyrrol-1-yl]phenyl]acetamide
CID 110561327
3-(3,4-dimethylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110550305
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545929
1-(3-chloro-4-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574378
1-cyclooctyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110559688
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545214
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 110558360) is 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is CN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is ILUMBIINUXBDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-28-13-11-17(12-14-28)29(2)21-20(16-7-4-3-5-8-16)22(31)30(23(21)32)18-9-6-10-19(15-18)33-24(25,26)27/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 459.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110558360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).