N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C15H23BrClN3O — CID 119923517

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-11-3-4-14(13(16)9-11)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyNCXYTIRCVXFETM-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.80
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119923517) has the molecular formula C15H23BrClN3O and a molecular weight of 376.73 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119923517
Molecular FormulaC15H23BrClN3O
Molecular Weight376.73 g/mol
Exact Mass375.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-11-3-4-14(13(16)9-11)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyNCXYTIRCVXFETM-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
N-(2-bromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267385
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 79868182
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 2700135
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119923517) is N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1.Cl.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is NCXYTIRCVXFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.ClH/c1-11-3-4-14(13(16)9-11)18-15(20)10-19-7-5-12(17-2)6-8-19;/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 376.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119923517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).