N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C15H21BrN2O — CID 8583157

IUPACN-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCC[C@H]2C)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(9-14(11)16)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyCIUIHGTVHWEKJS-GFCCVEGCSA-N
MW325.25 g/mol
LogP3.57
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8583157) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID8583157
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCC[C@H]2C)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(9-14(11)16)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyCIUIHGTVHWEKJS-GFCCVEGCSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801133
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(2,6-dibromo-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801135
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 8583157) is N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCCC[C@H]2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is CIUIHGTVHWEKJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-7-13(9-14(11)16)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8583157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).