N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C15H22BrN3O — CID 34773243

IUPACN-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-12(2)19-9-7-18(8-10-19)11-15(20)17-14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyRJUPQCIHQWSYAV-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.41
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 34773243) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID34773243
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O/c1-12(2)19-9-7-18(8-10-19)11-15(20)17-14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyRJUPQCIHQWSYAV-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide 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

(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 17477048
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
1-(4-bromophenyl)-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]urea
CID 171933322
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 34773243) is N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide is CC(C)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is RJUPQCIHQWSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-12(2)19-9-7-18(8-10-19)11-15(20)17-14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 340.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 34773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).