3-methyl-N-(4-methylpiperazin-1-yl)benzamide

C13H19N3O — CID 872229

IUPAC3-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O/c1-11-4-3-5-12(10-11)13(17)14-16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3,(H,14,17)
InChIKeyAONDRJAUOZOHCL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds2

About 3-methyl-N-(4-methylpiperazin-1-yl)benzamide

3-methyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 872229) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID872229
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O/c1-11-4-3-5-12(10-11)13(17)14-16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3,(H,14,17)
InChIKeyAONDRJAUOZOHCL-UHFFFAOYSA-N
XLogP0.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204806
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204956
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
3-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide chloride
CID 53351285
N-(4-methylpiperazin-1-yl)-3-phenacylsulfanylbenzamide
CID 84557109
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
3-methylbenzoic acid;1-methylpiperazine
CID 174580798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-methylpiperazin-1-yl)benzamide (CID 872229) is 3-methyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1cccc(C(=O)NN2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is AONDRJAUOZOHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-4-3-5-12(10-11)13(17)14-16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-N-(4-methylpiperazin-1-yl)benzamide?
3-methyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 872229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).