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

C21H25Cl2N3O — CID 36853094

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25Cl2N3O/c1-16-4-3-5-18(12-16)26-10-8-25(9-11-26)15-21(27)24(2)14-17-6-7-19(22)20(23)13-17/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyINVXUTUJGCHCAN-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.08
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 36853094) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID36853094
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C21H25Cl2N3O/c1-16-4-3-5-18(12-16)26-10-8-25(9-11-26)15-21(27)24(2)14-17-6-7-19(22)20(23)13-17/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyINVXUTUJGCHCAN-UHFFFAOYSA-N
XLogP4.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
CID 34785448
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 60504796
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[6-[4-(4-methyl-2-oxopentyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 159112154
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773926

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 36853094) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is INVXUTUJGCHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-16-4-3-5-18(12-16)26-10-8-25(9-11-26)15-21(27)24(2)14-17-6-7-19(22)20(23)13-17/h3-7,12-13H,8-11,14-15H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 406.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36853094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).