3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione

C26H28FN3O3 — CID 110543427

IUPAC3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(F)cc4)C(=O)N(CC4CCCO4)C3=O)CC2)c1
InChIInChI=1S/C26H28FN3O3/c1-18-4-2-5-21(16-18)28-11-13-29(14-12-28)24-23(19-7-9-20(27)10-8-19)25(31)30(26(24)32)17-22-6-3-15-33-22/h2,4-5,7-10,16,22H,3,6,11-15,17H2,1H3
InChIKeyCRQLLNHBBDLSES-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione

3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110543427) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110543427
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(F)cc4)C(=O)N(CC4CCCO4)C3=O)CC2)c1
InChIInChI=1S/C26H28FN3O3/c1-18-4-2-5-21(16-18)28-11-13-29(14-12-28)24-23(19-7-9-20(27)10-8-19)25(31)30(26(24)32)17-22-6-3-15-33-22/h2,4-5,7-10,16,22H,3,6,11-15,17H2,1H3
InChIKeyCRQLLNHBBDLSES-UHFFFAOYSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)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

3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110543423
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525
3-(4-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546322
3-(4-methylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572573
3-(4-methylpiperazin-1-yl)-1-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576438
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110548985
N-[4-[4-(4-methylpiperidin-1-yl)-2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562376
N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562622
3-[4-(2-methylpropoxy)phenyl]-4-morpholin-4-yl-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110551013
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545764
3-(4-fluorophenyl)-1-(3-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545318
3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 55481275

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione (CID 110543427) is 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione is Cc1cccc(N2CCN(C3=C(c4ccc(F)cc4)C(=O)N(CC4CCCO4)C3=O)CC2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is CRQLLNHBBDLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-18-4-2-5-21(16-18)28-11-13-29(14-12-28)24-23(19-7-9-20(27)10-8-19)25(31)30(26(24)32)17-22-6-3-15-33-22/h2,4-5,7-10,16,22H,3,6,11-15,17H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 449.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110543427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).