3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione

C25H29N3O3 — CID 110547621

IUPAC3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-4-31-21-12-10-18(11-13-21)22-23(27(3)19-14-16-26(2)17-15-19)25(30)28(24(22)29)20-8-6-5-7-9-20/h5-13,19H,4,14-17H2,1-3H3
InChIKeyLRDZJRYPLOUSMR-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.40
Rot. Bonds6

About 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione (PubChem CID 110547621) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
PubChem CID110547621
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-4-31-21-12-10-18(11-13-21)22-23(27(3)19-14-16-26(2)17-15-19)25(30)28(24(22)29)20-8-6-5-7-9-20/h5-13,19H,4,14-17H2,1-3H3
InChIKeyLRDZJRYPLOUSMR-UHFFFAOYSA-N
XLogP3.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.40
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-chlorophenyl)-3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110547650
1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
N-[4-[4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110563448
4-[3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110558085
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenyl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110558360
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110570872
N-[4-[3-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-4-phenylpyrrol-1-yl]phenyl]acetamide
CID 110561327
3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110574287
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-pentyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576612
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110547969
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577030
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545214

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione (CID 110547621) is 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione is CCOc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione?
The InChIKey is LRDZJRYPLOUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-31-21-12-10-18(11-13-21)22-23(27(3)19-14-16-26(2)17-15-19)25(30)28(24(22)29)20-8-6-5-7-9-20/h5-13,19H,4,14-17H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione has a molecular weight of 419.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110547621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).