4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione

C21H22N2O4 — CID 3238757

IUPAC4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C21H22N2O4/c1-27-18-9-7-17(8-10-18)13-19(24)22-14-20(25)23(21(26)15-22)12-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyYLBTUCNNWQLTSB-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.68
Rot. Bonds6

About 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione

4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 3238757) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID3238757
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C21H22N2O4/c1-27-18-9-7-17(8-10-18)13-19(24)22-14-20(25)23(21(26)15-22)12-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyYLBTUCNNWQLTSB-UHFFFAOYSA-N
XLogP1.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.68
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 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione (CID 3238757) is 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione is COc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is YLBTUCNNWQLTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-27-18-9-7-17(8-10-18)13-19(24)22-14-20(25)23(21(26)15-22)12-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione?
4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 366.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 3238757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).