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

C14H22ClN3O — CID 132965081

IUPACN-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-3-4-13(9-12(11)2)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H
InChIKeyWMJURNWINLBUQO-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.57
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 132965081) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID132965081
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-3-4-13(9-12(11)2)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H
InChIKeyWMJURNWINLBUQO-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
N-(3,4-dimethylphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80701697
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride (CID 132965081) is N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCNCC2)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is WMJURNWINLBUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-11-3-4-13(9-12(11)2)16-14(18)10-17-7-5-15-6-8-17;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride?
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 132965081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).