2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone

C21H23BrN2O5 — CID 2877867

IUPAC2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1OC
InChIInChI=1S/C21H23BrN2O5/c1-27-18-8-3-15(13-19(18)28-2)21(26)24-11-9-23(10-12-24)20(25)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUXNDCYOOZQJOMK-UHFFFAOYSA-N
MW463.33 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone

2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 2877867) has the molecular formula C21H23BrN2O5 and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID2877867
Molecular FormulaC21H23BrN2O5
Molecular Weight463.33 g/mol
Exact Mass462.08
IUPAC Name2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1OC
InChIInChI=1S/C21H23BrN2O5/c1-27-18-8-3-15(13-19(18)28-2)21(26)24-11-9-23(10-12-24)20(25)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUXNDCYOOZQJOMK-UHFFFAOYSA-N
XLogP2.83
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)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

Related Compounds

Itopride
CID 3792
Itopride Hydrochloride
CID 129791
1-[4-(2,3-Dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072048
2-(4-acetyl-2-methoxyphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2536503
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 4788548
1-[4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone
CID 24684685
(4-Benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanone
CID 1108340
4-{(1S)-2-[(2R)-4-Benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}-3-methoxy-N-methyl-benzamide
CID 11719112
(6-Bromo-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morpholin-4-yl-methanone
CID 22475120
Morpholine, 4-(3,4-dimethoxybenzoyl)-
CID 89836
3,4-dimethoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 754509
1-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 1074752

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone (CID 2877867) is 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1OC.
What is the InChIKey of 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is UXNDCYOOZQJOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O5/c1-27-18-8-3-15(13-19(18)28-2)21(26)24-11-9-23(10-12-24)20(25)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone?
2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 463.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).