1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione

C22H26N2O3 — CID 649669

IUPAC1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-15-8-6-7-9-18(15)24-19(25)14-23(22(2,3)4)21(26)20(24)16-10-12-17(27-5)13-11-16/h6-13,20H,14H2,1-5H3
InChIKeyYIFDOPAUYDMUEU-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.72
Rot. Bonds3

About 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione

1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione (PubChem CID 649669) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione
PubChem CID649669
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-15-8-6-7-9-18(15)24-19(25)14-23(22(2,3)4)21(26)20(24)16-10-12-17(27-5)13-11-16/h6-13,20H,14H2,1-5H3
InChIKeyYIFDOPAUYDMUEU-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione (CID 649669) is 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione is COc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione?
The InChIKey is YIFDOPAUYDMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-8-6-7-9-18(15)24-19(25)14-23(22(2,3)4)21(26)20(24)16-10-12-17(27-5)13-11-16/h6-13,20H,14H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione?
1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 649669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).