N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride

C21H29Cl2N3O2 — CID 17132212

IUPACN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19;;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);2*1H
InChIKeyZEIYKPWWWPPQDB-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.92
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride

N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 17132212) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID17132212
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19;;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);2*1H
InChIKeyZEIYKPWWWPPQDB-UHFFFAOYSA-N
XLogP3.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16827199
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride (CID 17132212) is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride is COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1.Cl.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is ZEIYKPWWWPPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19;;/h4-9,14H,10-13,15H2,1-3H3,(H,22,25);2*1H.
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 17132212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).