4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C16H24ClN3O3 — CID 119454852

IUPAC4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-22-14-6-4-13(5-7-14)16(21)18(2)12-15(20)19-10-8-17-9-11-19;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyQIKHOZNJAIXFPJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.01
Rot. Bonds5

About 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119454852) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119454852
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-22-14-6-4-13(5-7-14)16(21)18(2)12-15(20)19-10-8-17-9-11-19;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyQIKHOZNJAIXFPJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332972
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119454800
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 119454837

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119454852) is 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is CCOc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is QIKHOZNJAIXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-3-22-14-6-4-13(5-7-14)16(21)18(2)12-15(20)19-10-8-17-9-11-19;/h4-7,17H,3,8-12H2,1-2H3;1H.
What are the key properties of 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119454852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).