N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C16H21BrN2O2 — CID 113173034

IUPACN-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-12-6-7-14(10-15(12)17)19(13(2)20)11-16(21)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyVRXXDQPDUKBOKQ-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.12
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 113173034) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID113173034
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-12-6-7-14(10-15(12)17)19(13(2)20)11-16(21)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyVRXXDQPDUKBOKQ-UHFFFAOYSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178178
N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
ethyl 4-[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113172220
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 113173034) is N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCCC1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is VRXXDQPDUKBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12-6-7-14(10-15(12)17)19(13(2)20)11-16(21)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 353.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 113173034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).