2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide

C13H15BrN2O3 — CID 55210132

IUPAC2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)COc2ccc(Br)cc2)CN1
InChIInChI=1S/C13H15BrN2O3/c14-9-1-4-11(5-2-9)19-8-13(18)16-10-3-6-12(17)15-7-10/h1-2,4-5,10H,3,6-8H2,(H,15,17)(H,16,18)
InChIKeyQQGJVHCJSPGOQY-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.22
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide

2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 55210132) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID55210132
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)COc2ccc(Br)cc2)CN1
InChIInChI=1S/C13H15BrN2O3/c14-9-1-4-11(5-2-9)19-8-13(18)16-10-3-6-12(17)15-7-10/h1-2,4-5,10H,3,6-8H2,(H,15,17)(H,16,18)
InChIKeyQQGJVHCJSPGOQY-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 63661589
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(2-cyanophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 62897007
2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 146131599
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide (CID 55210132) is 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide is O=C1CCC(NC(=O)COc2ccc(Br)cc2)CN1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is QQGJVHCJSPGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-1-4-11(5-2-9)19-8-13(18)16-10-3-6-12(17)15-7-10/h1-2,4-5,10H,3,6-8H2,(H,15,17)(H,16,18).
What are the key properties of 2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 327.18 g/mol, XLogP of 1.22, 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-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 55210132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).