3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione

C21H23N3O2 — CID 2833553

IUPAC3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23N3O2/c25-20-15-19(21(26)24(20)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyBZHRCULYXFTKJF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione

3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 2833553) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID2833553
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23N3O2/c25-20-15-19(21(26)24(20)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyBZHRCULYXFTKJF-UHFFFAOYSA-N
XLogP2.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 2833553) is 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is BZHRCULYXFTKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-15-19(21(26)24(20)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10,19H,11-16H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 349.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2833553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).