3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C18H30ClN3O — CID 119391223

IUPAC3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCCCN2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15-4-5-17(16(2)14-15)6-7-18(22)20-8-3-11-21-12-9-19-10-13-21;/h4-5,14,19H,3,6-13H2,1-2H3,(H,20,22);1H
InChIKeyYUKLBHFDGAIQPR-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.07
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391223) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391223
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCCCN2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15-4-5-17(16(2)14-15)6-7-18(22)20-8-3-11-21-12-9-19-10-13-21;/h4-5,14,19H,3,6-13H2,1-2H3,(H,20,22);1H
InChIKeyYUKLBHFDGAIQPR-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.07
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

4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391223) is 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NCCCN2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is YUKLBHFDGAIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-15-4-5-17(16(2)14-15)6-7-18(22)20-8-3-11-21-12-9-19-10-13-21;/h4-5,14,19H,3,6-13H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).