2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C19H21BrN2O2 — CID 1344876

IUPAC2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyXFUCNQQMLHWACB-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 1344876) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID1344876
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyXFUCNQQMLHWACB-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone 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 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 1344876) is 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is XFUCNQQMLHWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 389.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1344876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).