(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C22H25N3O3 — CID 7928119

IUPAC(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)c(C)c1
InChIInChI=1S/C22H25N3O3/c1-15-3-8-19(16(2)13-15)25-21(27)14-20(22(25)28)24-11-9-23(10-12-24)17-4-6-18(26)7-5-17/h3-8,13,20,26H,9-12,14H2,1-2H3/t20-/m0/s1
InChIKeyZEKMAENQVMKOPX-FQEVSTJZSA-N
MW379.46 g/mol
LogP2.46
Rot. Bonds3

About (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7928119) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID7928119
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)c(C)c1
InChIInChI=1S/C22H25N3O3/c1-15-3-8-19(16(2)13-15)25-21(27)14-20(22(25)28)24-11-9-23(10-12-24)17-4-6-18(26)7-5-17/h3-8,13,20,26H,9-12,14H2,1-2H3/t20-/m0/s1
InChIKeyZEKMAENQVMKOPX-FQEVSTJZSA-N
XLogP2.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-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-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
3-(4-acetylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826729
3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826728
1-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2942972
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826730
(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805299
(3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7305222
(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 7923588
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 7923586
(3S)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 1113020

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 7928119) is (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)c(C)c1.
What is the InChIKey of (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is ZEKMAENQVMKOPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-3-8-19(16(2)13-15)25-21(27)14-20(22(25)28)24-11-9-23(10-12-24)17-4-6-18(26)7-5-17/h3-8,13,20,26H,9-12,14H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 379.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7928119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).