2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

C16H24BrN3O2 — CID 119392447

IUPAC2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCOc1ccc(Br)cc1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H24BrN3O2/c1-22-15-4-3-14(17)11-13(15)12-16(21)19-5-2-8-20-9-6-18-7-10-20/h3-4,11,18H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyGCLDRDUAWLRPQG-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.41
Rot. Bonds7

About 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392447) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392447
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCOc1ccc(Br)cc1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H24BrN3O2/c1-22-15-4-3-14(17)11-13(15)12-16(21)19-5-2-8-20-9-6-18-7-10-20/h3-4,11,18H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyGCLDRDUAWLRPQG-UHFFFAOYSA-N
XLogP1.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)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

4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392447) is 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is COc1ccc(Br)cc1CC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is GCLDRDUAWLRPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-22-15-4-3-14(17)11-13(15)12-16(21)19-5-2-8-20-9-6-18-7-10-20/h3-4,11,18H,2,5-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 370.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).