N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide

C13H17BrN2O2 — CID 81494966

IUPACN-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccc(Br)c1O
InChIInChI=1S/C13H17BrN2O2/c14-10-2-1-3-11(13(10)18)16-12(17)8-9-4-6-15-7-5-9/h1-3,9,15,18H,4-8H2,(H,16,17)
InChIKeyQEHSMCIVZNZDFI-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.48
Rot. Bonds3

About N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide

N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide (PubChem CID 81494966) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
PubChem CID81494966
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccc(Br)c1O
InChIInChI=1S/C13H17BrN2O2/c14-10-2-1-3-11(13(10)18)16-12(17)8-9-4-6-15-7-5-9/h1-3,9,15,18H,4-8H2,(H,16,17)
InChIKeyQEHSMCIVZNZDFI-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
2-piperidin-4-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 61028561
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(4-phenylphenyl)-2-piperidin-4-ylacetamide
CID 67362104

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide (CID 81494966) is N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cccc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide?
The InChIKey is QEHSMCIVZNZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-2-1-3-11(13(10)18)16-12(17)8-9-4-6-15-7-5-9/h1-3,9,15,18H,4-8H2,(H,16,17).
What are the key properties of N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide?
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 81494966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).