N-methyl-4-(piperazin-1-ylmethyl)benzamide

C13H19N3O — CID 82166251

IUPACN-methyl-4-(piperazin-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-14-13(17)12-4-2-11(3-5-12)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3,(H,14,17)
InChIKeyWZFWMRGPTNWLIA-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-4-(piperazin-1-ylmethyl)benzamide

N-methyl-4-(piperazin-1-ylmethyl)benzamide (PubChem CID 82166251) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-4-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(piperazin-1-ylmethyl)benzamide
PubChem CID82166251
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-4-(piperazin-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-14-13(17)12-4-2-11(3-5-12)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3,(H,14,17)
InChIKeyWZFWMRGPTNWLIA-UHFFFAOYSA-N
XLogP0.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(carboxymethyl)-7-[[4-(methylcarbamoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 177187623
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
ethyl 4-(1,4,7-triazonan-1-ylmethyl)benzoate
CID 165144357
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
CID 120980533
N-methyl-2-(piperazin-1-ylmethyl)benzamide
CID 82510273
N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide
CID 175602078
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
2-[[2-[[2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10483110
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-(piperazin-1-ylmethyl)benzamide (CID 82166251) is N-methyl-4-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-(piperazin-1-ylmethyl)benzamide is CNC(=O)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-(piperazin-1-ylmethyl)benzamide?
The InChIKey is WZFWMRGPTNWLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-13(17)12-4-2-11(3-5-12)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3,(H,14,17).
What are the key properties of N-methyl-4-(piperazin-1-ylmethyl)benzamide?
N-methyl-4-(piperazin-1-ylmethyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 82166251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).