2-(4-bromophenoxy)-N-piperidin-4-ylacetamide

C13H17BrN2O2 — CID 119386339

IUPAC2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)NC1CCNCC1
InChIInChI=1S/C13H17BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H,16,17)
InChIKeyFRKZNNBODQCREM-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide

2-(4-bromophenoxy)-N-piperidin-4-ylacetamide (PubChem CID 119386339) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
PubChem CID119386339
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)NC1CCNCC1
InChIInChI=1S/C13H17BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H,16,17)
InChIKeyFRKZNNBODQCREM-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798457
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide (CID 119386339) is 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide is O=C(COc1ccc(Br)cc1)NC1CCNCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide?
The InChIKey is FRKZNNBODQCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H,16,17).
What are the key properties of 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide?
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide has a molecular weight of 313.19 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119386339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).