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

C20H21BrN2O4 — CID 38046701

IUPAC2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O4/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-22(10-12-23)19(24)14-27-17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyBWOWGRBNWRJEKW-UHFFFAOYSA-N
MW433.30 g/mol
LogP2.82
Rot. Bonds5

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

2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 38046701) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID38046701
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O4/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-22(10-12-23)19(24)14-27-17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyBWOWGRBNWRJEKW-UHFFFAOYSA-N
XLogP2.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)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-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (CID 38046701) is 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is BWOWGRBNWRJEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-26-18-4-2-3-15(13-18)20(25)23-11-9-22(10-12-23)19(24)14-27-17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 433.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38046701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).