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

C16H25ClN4O3 — CID 119915137

IUPACN-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-19(12-16(22)20-9-7-17-8-10-20)11-15(21)18-13-3-5-14(23-2)6-4-13;/h3-6,17H,7-12H2,1-2H3,(H,18,21);1H
InChIKeyPLKYVAGKFIVVNN-UHFFFAOYSA-N
MW356.85 g/mol
LogP0.42
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (PubChem CID 119915137) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
PubChem CID119915137
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC NameN-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-19(12-16(22)20-9-7-17-8-10-20)11-15(21)18-13-3-5-14(23-2)6-4-13;/h3-6,17H,7-12H2,1-2H3,(H,18,21);1H
InChIKeyPLKYVAGKFIVVNN-UHFFFAOYSA-N
XLogP0.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
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-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
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
2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817464
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (CID 119915137) is N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is COc1ccc(NC(=O)CN(C)CC(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The InChIKey is PLKYVAGKFIVVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c1-19(12-16(22)20-9-7-17-8-10-20)11-15(21)18-13-3-5-14(23-2)6-4-13;/h3-6,17H,7-12H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119915137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).