(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione

C23H25N3O3 — CID 5436368

IUPAC(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCNCC2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1
InChIInChI=1S/C23H25N3O3/c27-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)26(23(29)22(19)28)16-15-25-13-11-24-12-14-25/h1-10,20,24,27H,11-16H2/b21-19+/t20-/m1/s1
InChIKeyZEASXYPOFHMWSK-YDJIHCHBSA-N
MW391.47 g/mol
LogP2.01
Rot. Bonds5

About (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione

(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione (PubChem CID 5436368) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
PubChem CID5436368
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCNCC2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1
InChIInChI=1S/C23H25N3O3/c27-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)26(23(29)22(19)28)16-15-25-13-11-24-12-14-25/h1-10,20,24,27H,11-16H2/b21-19+/t20-/m1/s1
InChIKeyZEASXYPOFHMWSK-YDJIHCHBSA-N
XLogP2.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-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

(5S)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
CID 7305752
4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 3676925
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 5447493
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 6199481
(4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione
CID 110277196
5-(4-bromophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
CID 73260309
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione
CID 110277179
(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 5441441
(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 5441483
(5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1277981
(5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 1283649
(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
CID 5441466

Frequently Asked Questions

What is the IUPAC name of (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione (CID 5436368) is (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCN2CCNCC2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1.
What is the InChIKey of (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is ZEASXYPOFHMWSK-YDJIHCHBSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)26(23(29)22(19)28)16-15-25-13-11-24-12-14-25/h1-10,20,24,27H,11-16H2/b21-19+/t20-/m1/s1.
What are the key properties of (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione?
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 391.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 5436368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).