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

C15H24ClN3O — CID 119260061

IUPAC2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-13-2-4-14(5-3-13)12-15(19)17-8-11-18-9-6-16-7-10-18;/h2-5,16H,6-12H2,1H3,(H,17,19);1H
InChIKeyQHEUKLMQJXJKST-UHFFFAOYSA-N
MW297.83 g/mol
LogP0.98
Rot. Bonds5

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

2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119260061) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119260061
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-13-2-4-14(5-3-13)12-15(19)17-8-11-18-9-6-16-7-10-18;/h2-5,16H,6-12H2,1H3,(H,17,19);1H
InChIKeyQHEUKLMQJXJKST-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
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-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119448604

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119260061) is 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is QHEUKLMQJXJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-13-2-4-14(5-3-13)12-15(19)17-8-11-18-9-6-16-7-10-18;/h2-5,16H,6-12H2,1H3,(H,17,19);1H.
What are the key properties of 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).