3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C21H28N4O — CID 57327086

IUPAC3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-23(2)16-17-7-6-8-18(15-17)21(26)22-19-9-4-5-10-20(19)25-13-11-24(3)12-14-25/h4-10,15H,11-14,16H2,1-3H3,(H,22,26)
InChIKeyVMDUWNGKMBXXMG-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.75
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 57327086) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID57327086
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-23(2)16-17-7-6-8-18(15-17)21(26)22-19-9-4-5-10-20(19)25-13-11-24(3)12-14-25/h4-10,15H,11-14,16H2,1-3H3,(H,22,26)
InChIKeyVMDUWNGKMBXXMG-UHFFFAOYSA-N
XLogP2.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4288614
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 57327086) is 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN(C)Cc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is VMDUWNGKMBXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23(2)16-17-7-6-8-18(15-17)21(26)22-19-9-4-5-10-20(19)25-13-11-24(3)12-14-25/h4-10,15H,11-14,16H2,1-3H3,(H,22,26).
What are the key properties of 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 57327086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).