N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

C15H22BrN3O — CID 115305227

IUPACN-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(17-2)7-9-19(10-8-15)11-14(20)18-13-6-4-3-5-12(13)16/h3-6,17H,7-11H2,1-2H3,(H,18,20)
InChIKeyIXWBRRJZPJMEPX-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.46
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 115305227) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
PubChem CID115305227
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC NameN-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(17-2)7-9-19(10-8-15)11-14(20)18-13-6-4-3-5-12(13)16/h3-6,17H,7-11H2,1-2H3,(H,18,20)
InChIKeyIXWBRRJZPJMEPX-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305243
N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 24705814
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 34782547
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (CID 115305227) is N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is CNC1(C)CCN(CC(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is IXWBRRJZPJMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-15(17-2)7-9-19(10-8-15)11-14(20)18-13-6-4-3-5-12(13)16/h3-6,17H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 340.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115305227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).