2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C15H22BrClN2O — CID 119557338

IUPAC2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(Br)cc1)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-14-5-3-12(4-6-14)10-15(19)18-9-7-13-2-1-8-17-11-13;/h3-6,13,17H,1-2,7-11H2,(H,18,19);1H
InChIKeyHKMLVIXDDAUTNE-UHFFFAOYSA-N
MW361.71 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119557338) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119557338
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(Br)cc1)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-14-5-3-12(4-6-14)10-15(19)18-9-7-13-2-1-8-17-11-13;/h3-6,13,17H,1-2,7-11H2,(H,18,19);1H
InChIKeyHKMLVIXDDAUTNE-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119557338) is 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(Br)cc1)NCCC1CCCNC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is HKMLVIXDDAUTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c16-14-5-3-12(4-6-14)10-15(19)18-9-7-13-2-1-8-17-11-13;/h3-6,13,17H,1-2,7-11H2,(H,18,19);1H.
What are the key properties of 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119557338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).