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

C23H27N3O2 — CID 2853692

IUPAC3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-17-21(23(28)26(22)12-11-19-7-3-1-4-8-19)25-15-13-24(14-16-25)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyGHYCDRMZDRYOJE-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.17
Rot. Bonds6

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

3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2853692) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2853692
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-17-21(23(28)26(22)12-11-19-7-3-1-4-8-19)25-15-13-24(14-16-25)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyGHYCDRMZDRYOJE-UHFFFAOYSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.17
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-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 2853692) is 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is GHYCDRMZDRYOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-17-21(23(28)26(22)12-11-19-7-3-1-4-8-19)25-15-13-24(14-16-25)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-(4-benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 377.49 g/mol, XLogP of 2.17, 6 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-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2853692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).