N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C15H19BrN2O2 — CID 113177878

IUPACN-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-12(19)18(14-7-5-6-13(16)10-14)11-15(20)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyFWSJDISQBGOMIL-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.81
Rot. Bonds3

About N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 113177878) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID113177878
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-12(19)18(14-7-5-6-13(16)10-14)11-15(20)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyFWSJDISQBGOMIL-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
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
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 113177878) is N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is FWSJDISQBGOMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-12(19)18(14-7-5-6-13(16)10-14)11-15(20)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 113177878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).