2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C19H32ClN3O — CID 119394251

IUPAC2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-2-3-5-17-6-8-18(9-7-17)16-19(23)21-10-4-13-22-14-11-20-12-15-22;/h6-9,20H,2-5,10-16H2,1H3,(H,21,23);1H
InChIKeyKDMWXQWJBDYLQQ-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.40
Rot. Bonds9

About 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119394251) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119394251
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCCCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-2-3-5-17-6-8-18(9-7-17)16-19(23)21-10-4-13-22-14-11-20-12-15-22;/h6-9,20H,2-5,10-16H2,1H3,(H,21,23);1H
InChIKeyKDMWXQWJBDYLQQ-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride 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-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119394251) is 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is CCCCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is KDMWXQWJBDYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-2-3-5-17-6-8-18(9-7-17)16-19(23)21-10-4-13-22-14-11-20-12-15-22;/h6-9,20H,2-5,10-16H2,1H3,(H,21,23);1H.
What are the key properties of 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119394251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).