4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione

C19H20N2O2 — CID 2259642

IUPAC4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccc2)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18-14-20(13-17-9-5-2-6-10-17)15-19(23)21(18)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyFDHZQDHDJVZPMI-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.10
Rot. Bonds5

About 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione

4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 2259642) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID2259642
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccc2)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18-14-20(13-17-9-5-2-6-10-17)15-19(23)21(18)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyFDHZQDHDJVZPMI-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione (CID 2259642) is 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione is O=C1CN(Cc2ccccc2)CC(=O)N1CCc1ccccc1.
What is the InChIKey of 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is FDHZQDHDJVZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-14-20(13-17-9-5-2-6-10-17)15-19(23)21(18)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione?
4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 308.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 2259642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).