N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride

C15H22BrClN4O2 — CID 119914945

IUPACN-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Br)cc1)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H21BrN4O2.ClH/c1-19(11-15(22)20-8-6-17-7-9-20)10-14(21)18-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3,(H,18,21);1H
InChIKeyRGWXWHSEQBCSHC-UHFFFAOYSA-N
MW405.72 g/mol
LogP1.17
Rot. Bonds5

About N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride

N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (PubChem CID 119914945) has the molecular formula C15H22BrClN4O2 and a molecular weight of 405.72 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
PubChem CID119914945
Molecular FormulaC15H22BrClN4O2
Molecular Weight405.72 g/mol
Exact Mass404.06
IUPAC NameN-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Br)cc1)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H21BrN4O2.ClH/c1-19(11-15(22)20-8-6-17-7-9-20)10-14(21)18-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3,(H,18,21);1H
InChIKeyRGWXWHSEQBCSHC-UHFFFAOYSA-N
XLogP1.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.72
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915065

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (CID 119914945) is N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is CN(CC(=O)Nc1ccc(Br)cc1)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The InChIKey is RGWXWHSEQBCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2.ClH/c1-19(11-15(22)20-8-6-17-7-9-20)10-14(21)18-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3,(H,18,21);1H.
What are the key properties of N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride has a molecular weight of 405.72 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119914945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).