2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride

C13H18BrClN2O — CID 86812954

IUPAC2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)NC1CCCNC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12;/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17);1H
InChIKeyYCVRAGDHHZODGK-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.28
Rot. Bonds3

About 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride

2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 86812954) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID86812954
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)NC1CCCNC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12;/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17);1H
InChIKeyYCVRAGDHHZODGK-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62605138
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
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CID 75417754
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
CID 112752910
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride (CID 86812954) is 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride is Cl.O=C(Cc1cccc(Br)c1)NC1CCCNC1.
What is the InChIKey of 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is YCVRAGDHHZODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12;/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17);1H.
What are the key properties of 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride?
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 86812954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).