2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide

C15H21BrN2O2 — CID 119557900

IUPAC2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O2/c16-13-4-1-5-14(9-13)20-11-15(19)18-8-6-12-3-2-7-17-10-12/h1,4-5,9,12,17H,2-3,6-8,10-11H2,(H,18,19)
InChIKeyHKECIOWMEPCBPC-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.33
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide

2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119557900) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119557900
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O2/c16-13-4-1-5-14(9-13)20-11-15(19)18-8-6-12-3-2-7-17-10-12/h1,4-5,9,12,17H,2-3,6-8,10-11H2,(H,18,19)
InChIKeyHKECIOWMEPCBPC-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide (CID 119557900) is 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide is O=C(COc1cccc(Br)c1)NCCC1CCCNC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is HKECIOWMEPCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-13-4-1-5-14(9-13)20-11-15(19)18-8-6-12-3-2-7-17-10-12/h1,4-5,9,12,17H,2-3,6-8,10-11H2,(H,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119557900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).