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

C25H28FN3O3 — CID 110543280

IUPAC3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(F)cc3)=C(N(C)C3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-27-14-12-20(13-15-27)28(2)23-22(18-6-8-19(26)9-7-18)24(30)29(25(23)31)16-17-4-10-21(32-3)11-5-17/h4-11,20H,12-16H2,1-3H3
InChIKeyXVLPZZRJZHQTJY-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.14
Rot. Bonds6

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

3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione (PubChem CID 110543280) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
PubChem CID110543280
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(F)cc3)=C(N(C)C3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-27-14-12-20(13-15-27)28(2)23-22(18-6-8-19(26)9-7-18)24(30)29(25(23)31)16-17-4-10-21(32-3)11-5-17/h4-11,20H,12-16H2,1-3H3
InChIKeyXVLPZZRJZHQTJY-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566202
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110555926
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]-4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110572252
3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110543282
1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110556628
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110545214
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110543269
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
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]-1-(2-methylpropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577030
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-pentyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576612

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione (CID 110543280) is 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(c3ccc(F)cc3)=C(N(C)C3CCN(C)CC3)C2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The InChIKey is XVLPZZRJZHQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-27-14-12-20(13-15-27)28(2)23-22(18-6-8-19(26)9-7-18)24(30)29(25(23)31)16-17-4-10-21(32-3)11-5-17/h4-11,20H,12-16H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione has a molecular weight of 437.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 110543280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).