3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride

C16H23BrClN3O2 — CID 119389659

IUPAC3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H22BrN3O2.ClH/c1-11(21)19-15(12-2-4-13(17)5-3-12)10-16(22)20-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyWIDGGBWDROGNLY-UHFFFAOYSA-N
MW404.74 g/mol
LogP2.31
Rot. Bonds5

About 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride

3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119389659) has the molecular formula C16H23BrClN3O2 and a molecular weight of 404.74 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119389659
Molecular FormulaC16H23BrClN3O2
Molecular Weight404.74 g/mol
Exact Mass403.07
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H22BrN3O2.ClH/c1-11(21)19-15(12-2-4-13(17)5-3-12)10-16(22)20-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyWIDGGBWDROGNLY-UHFFFAOYSA-N
XLogP2.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.74
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
CID 112803125
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
CID 119403227
ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride
CID 119316763
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119389659) is 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride is CC(=O)NC(CC(=O)NC1CCNCC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is WIDGGBWDROGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2.ClH/c1-11(21)19-15(12-2-4-13(17)5-3-12)10-16(22)20-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride?
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 404.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119389659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).