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

C16H26ClN3O — CID 119164452

IUPAC2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-14-3-5-15(6-4-14)13-16(20)18-7-2-10-19-11-8-17-9-12-19;/h3-6,17H,2,7-13H2,1H3,(H,18,20);1H
InChIKeyPRQCLWJYSBHRNP-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.37
Rot. Bonds6

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

2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119164452) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119164452
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-14-3-5-15(6-4-14)13-16(20)18-7-2-10-19-11-8-17-9-12-19;/h3-6,17H,2,7-13H2,1H3,(H,18,20);1H
InChIKeyPRQCLWJYSBHRNP-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
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-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
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-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
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-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119164452) is 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is PRQCLWJYSBHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-14-3-5-15(6-4-14)13-16(20)18-7-2-10-19-11-8-17-9-12-19;/h3-6,17H,2,7-13H2,1H3,(H,18,20);1H.
What are the key properties of 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119164452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).