1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C15H19BrN2O3 — CID 64966528

IUPAC1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(Br)cc1N1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H19BrN2O3/c1-8(2)13-14(19)17-9(3)15(20)18(13)11-7-10(16)5-6-12(11)21-4/h5-9,13H,1-4H3,(H,17,19)
InChIKeyQSNOLHNNHUCSDY-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.33
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64966528) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64966528
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(Br)cc1N1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H19BrN2O3/c1-8(2)13-14(19)17-9(3)15(20)18(13)11-7-10(16)5-6-12(11)21-4/h5-9,13H,1-4H3,(H,17,19)
InChIKeyQSNOLHNNHUCSDY-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64966528) is 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is COc1ccc(Br)cc1N1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is QSNOLHNNHUCSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-8(2)13-14(19)17-9(3)15(20)18(13)11-7-10(16)5-6-12(11)21-4/h5-9,13H,1-4H3,(H,17,19).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64966528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).