1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C24H25N3O4 — CID 55950215

IUPAC1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c28-21-10-11-22(29)27(21)17-23(30)25-12-14-26(15-13-25)24(31)20-9-5-4-8-19(20)16-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyVFQKMXMURGUQII-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55950215) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55950215
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c28-21-10-11-22(29)27(21)17-23(30)25-12-14-26(15-13-25)24(31)20-9-5-4-8-19(20)16-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyVFQKMXMURGUQII-UHFFFAOYSA-N
XLogP1.71
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]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

azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
N-[(2S)-1-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 52507090
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
1-[2-oxo-2-[4-(9-oxofluorene-2-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55950727
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
1-[2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55833378
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637270
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55950215) is 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is VFQKMXMURGUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-21-10-11-22(29)27(21)17-23(30)25-12-14-26(15-13-25)24(31)20-9-5-4-8-19(20)16-18-6-2-1-3-7-18/h1-9H,10-17H2.
What are the key properties of 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 419.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).