N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride

C15H24ClN3O — CID 119916399

IUPACN-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11-4-5-14(12(2)8-11)17-15(19)10-18-7-6-16-9-13(18)3;/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H
InChIKeySQERBYFJIMPNOH-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.96
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride

N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119916399) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119916399
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11-4-5-14(12(2)8-11)17-15(19)10-18-7-6-16-9-13(18)3;/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H
InChIKeySQERBYFJIMPNOH-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119916399) is N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCNCC2C)c(C)c1.Cl.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is SQERBYFJIMPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-11-4-5-14(12(2)8-11)17-15(19)10-18-7-6-16-9-13(18)3;/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119916399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).