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

C22H25N3O2 — CID 2853382

IUPAC1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21-17-20(22(27)25(21)12-11-18-7-3-1-4-8-18)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyBNFHWOIORKQQEI-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.18
Rot. Bonds5

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

1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2853382) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2853382
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21-17-20(22(27)25(21)12-11-18-7-3-1-4-8-18)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyBNFHWOIORKQQEI-UHFFFAOYSA-N
XLogP2.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.18
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 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2853382) is 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is BNFHWOIORKQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-17-20(22(27)25(21)12-11-18-7-3-1-4-8-18)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 363.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2853382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).