2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

C15H21BrN2O2 — CID 110767784

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-3-17-6-8-18(9-7-17)15(19)11-12-4-5-14(20-2)13(16)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyJVXZICJWXGMXGV-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110767784) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110767784
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-3-17-6-8-18(9-7-17)15(19)11-12-4-5-14(20-2)13(16)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyJVXZICJWXGMXGV-UHFFFAOYSA-N
XLogP2.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-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

2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
1-(3-aminopyrrolidin-1-yl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 176516113
4-[2-(3-bromo-4-methoxyphenyl)acetyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 141128589
2-(3-bromo-4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 84607778
1-(3-aminopiperidin-1-yl)-2-(3-bromo-4-methoxyphenyl)ethanone;hydrochloride
CID 176516116
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
1-[4-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921996
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 110767784) is 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is JVXZICJWXGMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-17-6-8-18(9-7-17)15(19)11-12-4-5-14(20-2)13(16)10-12/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 341.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).