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

C17H23BrN2O2 — CID 113178178

IUPACN-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCCC(C)C1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H23BrN2O2/c1-12-5-4-8-19(10-12)17(22)11-20(14(3)21)15-6-7-16(18)13(2)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyRAFULOFJLNQERB-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.37
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113178178) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113178178
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCCC(C)C1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H23BrN2O2/c1-12-5-4-8-19(10-12)17(22)11-20(14(3)21)15-6-7-16(18)13(2)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyRAFULOFJLNQERB-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
N-(4-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169288
N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113177407
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169650
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178396
N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113178178) is N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCCC(C)C1)c1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is RAFULOFJLNQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-12-5-4-8-19(10-12)17(22)11-20(14(3)21)15-6-7-16(18)13(2)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 367.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113178178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).