2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

C15H22BrN3O — CID 79868182

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(N)C(C)C2)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-10-3-4-14(12(16)7-10)18-15(20)9-19-6-5-13(17)11(2)8-19/h3-4,7,11,13H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyZRAQRTWLANHGRK-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 79868182) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID79868182
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(N)C(C)C2)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-10-3-4-14(12(16)7-10)18-15(20)9-19-6-5-13(17)11(2)8-19/h3-4,7,11,13H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyZRAQRTWLANHGRK-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-(2-bromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267385
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119924970
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (CID 79868182) is 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(N)C(C)C2)c(Br)c1.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is ZRAQRTWLANHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10-3-4-14(12(16)7-10)18-15(20)9-19-6-5-13(17)11(2)8-19/h3-4,7,11,13H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 340.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 79868182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).