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

C25H28ClN3O2 — CID 110569191

IUPAC3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C25H28ClN3O2/c1-27-15-13-21(14-16-27)28(2)23-22(19-8-10-20(26)11-9-19)24(30)29(25(23)31)17-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3
InChIKeyNAUYJPYJTLGSNW-UHFFFAOYSA-N
MW437.97 g/mol
LogP3.69
Rot. Bonds6

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

3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110569191) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110569191
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C25H28ClN3O2/c1-27-15-13-21(14-16-27)28(2)23-22(19-8-10-20(26)11-9-19)24(30)29(25(23)31)17-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3
InChIKeyNAUYJPYJTLGSNW-UHFFFAOYSA-N
XLogP3.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110543156
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552381
3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569919
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110570872
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
1-[2-(1H-indol-3-yl)ethyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571676
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110572252
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110555926
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545214
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110547650
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
CID 110569609
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110578114

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110569191) is 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione is CN1CCC(N(C)C2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is NAUYJPYJTLGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-27-15-13-21(14-16-27)28(2)23-22(19-8-10-20(26)11-9-19)24(30)29(25(23)31)17-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 437.97 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).