3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione

C21H23ClN2O3 — CID 652796

IUPAC3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(c2cccc(C)c2C)C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H23ClN2O3/c1-14-5-4-6-18(15(14)2)24-19(25)13-23(11-12-27-3)21(26)20(24)16-7-9-17(22)10-8-16/h4-10,20H,11-13H2,1-3H3
InChIKeyYLOYIIKMIOEYKE-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.52
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione

3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 652796) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID652796
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(c2cccc(C)c2C)C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H23ClN2O3/c1-14-5-4-6-18(15(14)2)24-19(25)13-23(11-12-27-3)21(26)20(24)16-7-9-17(22)10-8-16/h4-10,20H,11-13H2,1-3H3
InChIKeyYLOYIIKMIOEYKE-UHFFFAOYSA-N
XLogP3.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione (CID 652796) is 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione is COCCN1CC(=O)N(c2cccc(C)c2C)C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is YLOYIIKMIOEYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-5-4-6-18(15(14)2)24-19(25)13-23(11-12-27-3)21(26)20(24)16-7-9-17(22)10-8-16/h4-10,20H,11-13H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 386.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 652796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).