2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide

C16H26N4O — CID 80505154

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(C)CC2CN)c1
InChIInChI=1S/C16H26N4O/c1-3-13-5-4-6-14(9-13)18-16(21)12-20-8-7-19(2)11-15(20)10-17/h4-6,9,15H,3,7-8,10-12,17H2,1-2H3,(H,18,21)
InChIKeyWOONPBDGTSCANJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.76
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 80505154) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID80505154
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(C)CC2CN)c1
InChIInChI=1S/C16H26N4O/c1-3-13-5-4-6-14(9-13)18-16(21)12-20-8-7-19(2)11-15(20)10-17/h4-6,9,15H,3,7-8,10-12,17H2,1-2H3,(H,18,21)
InChIKeyWOONPBDGTSCANJ-UHFFFAOYSA-N
XLogP0.76
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 80506909
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2,5-dichlorophenyl)acetamide
CID 80506821
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106782
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide (CID 80505154) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCN(C)CC2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is WOONPBDGTSCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-13-5-4-6-14(9-13)18-16(21)12-20-8-7-19(2)11-15(20)10-17/h4-6,9,15H,3,7-8,10-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.76, 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-(3-ethylphenyl)acetamide is sourced from PubChem (CID 80505154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).