2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide

C15H24N4O — CID 80507204

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
SMILESCN1CCN(CC(=O)NCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H24N4O/c1-18-7-8-19(14(9-16)11-18)12-15(20)17-10-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3,(H,17,20)
InChIKeyNOOPWLHIUSLONA-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.12
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide (PubChem CID 80507204) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
PubChem CID80507204
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
SMILESCN1CCN(CC(=O)NCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H24N4O/c1-18-7-8-19(14(9-16)11-18)12-15(20)17-10-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3,(H,17,20)
InChIKeyNOOPWLHIUSLONA-UHFFFAOYSA-N
XLogP-0.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 80506909
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 97094405
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2,5-dichlorophenyl)acetamide
CID 80506821
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide (CID 80507204) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide is CN1CCN(CC(=O)NCc2ccccc2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide?
The InChIKey is NOOPWLHIUSLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-7-8-19(14(9-16)11-18)12-15(20)17-10-13-5-3-2-4-6-13/h2-6,14H,7-12,16H2,1H3,(H,17,20).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide has a molecular weight of 276.38 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 80507204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).