2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide

C13H20N4O — CID 82546934

IUPAC2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccccc2CN)CC1
InChIInChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)15-13(18)12-5-3-2-4-11(12)10-14/h2-5H,6-10,14H2,1H3,(H,15,18)
InChIKeyJCKSBHWACGJPGW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.04
Rot. Bonds3

About 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide

2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 82546934) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID82546934
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccccc2CN)CC1
InChIInChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)15-13(18)12-5-3-2-4-11(12)10-14/h2-5H,6-10,14H2,1H3,(H,15,18)
InChIKeyJCKSBHWACGJPGW-UHFFFAOYSA-N
XLogP0.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
2-formamido-N-(4-methylpiperazin-1-yl)benzamide
CID 168653894
2-[2-(aminomethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81318146
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
3-(3-aminoprop-1-ynyl)-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016925
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
3-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-1-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027149

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide (CID 82546934) is 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide is CN1CCN(NC(=O)c2ccccc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is JCKSBHWACGJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)15-13(18)12-5-3-2-4-11(12)10-14/h2-5H,6-10,14H2,1H3,(H,15,18).
What are the key properties of 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide?
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 82546934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).