N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride

C15H21BrClN3O2 — CID 119403227

IUPACN-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-11(20)18-14(12-2-4-13(16)5-3-12)10-15(21)19-8-6-17-7-9-19;/h2-5,14,17H,6-10H2,1H3,(H,18,20);1H
InChIKeyMSUOKXIJUONZCK-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride

N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride (PubChem CID 119403227) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
PubChem CID119403227
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC NameN-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-11(20)18-14(12-2-4-13(16)5-3-12)10-15(21)19-8-6-17-7-9-19;/h2-5,14,17H,6-10H2,1H3,(H,18,20);1H
InChIKeyMSUOKXIJUONZCK-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
N-[(1S)-3-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 124611964
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247
N-[1-(4-bromophenyl)-3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119398231
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 112800619
N-[1-(4-bromophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]acetamide
CID 112772756
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[1-(4-bromophenyl)-3-oxo-3-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propyl]acetamide
CID 155948116
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride (CID 119403227) is N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride is CC(=O)NC(CC(=O)N1CCNCC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride?
The InChIKey is MSUOKXIJUONZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c1-11(20)18-14(12-2-4-13(16)5-3-12)10-15(21)19-8-6-17-7-9-19;/h2-5,14,17H,6-10H2,1H3,(H,18,20);1H.
What are the key properties of N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride?
N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119403227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).