2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide

C16H24BrN3O — CID 103353042

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C16H24BrN3O/c1-2-12-6-7-20(15(8-12)10-18)11-16(21)19-14-5-3-4-13(17)9-14/h3-5,9,12,15H,2,6-8,10-11,18H2,1H3,(H,19,21)
InChIKeyLRKVAPUDAGMZCX-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide (PubChem CID 103353042) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
PubChem CID103353042
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C16H24BrN3O/c1-2-12-6-7-20(15(8-12)10-18)11-16(21)19-14-5-3-4-13(17)9-14/h3-5,9,12,15H,2,6-8,10-11,18H2,1H3,(H,19,21)
InChIKeyLRKVAPUDAGMZCX-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 103353022
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103352926
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
CID 103441963
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide (CID 103353042) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide is CCC1CCN(CC(=O)Nc2cccc(Br)c2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide?
The InChIKey is LRKVAPUDAGMZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-12-6-7-20(15(8-12)10-18)11-16(21)19-14-5-3-4-13(17)9-14/h3-5,9,12,15H,2,6-8,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 103353042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).