N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide

C15H22BrN3O — CID 63642312

IUPACN-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCNC2)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-11-5-6-14(13(16)8-11)18-15(20)10-19(2)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyFMCJHAWLEIBYHY-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.38
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide (PubChem CID 63642312) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
PubChem CID63642312
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCNC2)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-11-5-6-14(13(16)8-11)18-15(20)10-19(2)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyFMCJHAWLEIBYHY-UHFFFAOYSA-N
XLogP2.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 113159569
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide (CID 63642312) is N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide is Cc1ccc(NC(=O)CN(C)C2CCCNC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The InChIKey is FMCJHAWLEIBYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11-5-6-14(13(16)8-11)18-15(20)10-19(2)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide has a molecular weight of 340.27 g/mol, XLogP of 2.38, 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-[methyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 63642312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).