2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C18H28BrClN2O3 — CID 119441604

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)N(C)C2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C18H27BrN2O3.ClH/c1-4-23-16-10-13(15(19)12-17(16)24-5-2)11-18(22)21(3)14-6-8-20-9-7-14;/h10,12,14,20H,4-9,11H2,1-3H3;1H
InChIKeyOUVZMGRWQGUQDI-UHFFFAOYSA-N
MW435.79 g/mol
LogP3.42
Rot. Bonds7

About 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119441604) has the molecular formula C18H28BrClN2O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119441604
Molecular FormulaC18H28BrClN2O3
Molecular Weight435.79 g/mol
Exact Mass434.10
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)N(C)C2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C18H27BrN2O3.ClH/c1-4-23-16-10-13(15(19)12-17(16)24-5-2)11-18(22)21(3)14-6-8-20-9-7-14;/h10,12,14,20H,4-9,11H2,1-3H3;1H
InChIKeyOUVZMGRWQGUQDI-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide
CID 75441137
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119443754
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(2-bromo-4-nitrophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551744

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119441604) is 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CCOc1cc(Br)c(CC(=O)N(C)C2CCNCC2)cc1OCC.Cl.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is OUVZMGRWQGUQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3.ClH/c1-4-23-16-10-13(15(19)12-17(16)24-5-2)11-18(22)21(3)14-6-8-20-9-7-14;/h10,12,14,20H,4-9,11H2,1-3H3;1H.
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 435.79 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119441604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).