2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C21H25Cl2N3O — CID 22194789

IUPAC2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C
InChIInChI=1S/C21H25Cl2N3O/c1-15-3-5-18(11-16(15)2)24-21(27)14-26-9-7-25(8-10-26)13-17-4-6-19(22)20(23)12-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)
InChIKeyDYENJTSSASCXAW-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.37
Rot. Bonds5

About 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 22194789) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID22194789
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C
InChIInChI=1S/C21H25Cl2N3O/c1-15-3-5-18(11-16(15)2)24-21(27)14-26-9-7-25(8-10-26)13-17-4-6-19(22)20(23)12-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)
InChIKeyDYENJTSSASCXAW-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 8721137

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 22194789) is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is DYENJTSSASCXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-15-3-5-18(11-16(15)2)24-21(27)14-26-9-7-25(8-10-26)13-17-4-6-19(22)20(23)12-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 406.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 22194789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).