[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

C21H27N2O4+ — CID 9268265

IUPAC[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-5-3-17(4-6-18)21(24)23-13-11-22(12-14-23)15-16-27-20-9-7-19(26-2)8-10-20/h3-10H,11-16H2,1-2H3/p+1
InChIKeyNUWFSHWNAZZTED-UHFFFAOYSA-O
MW371.46 g/mol
LogP1.12
Rot. Bonds7

About [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 9268265) has the molecular formula C21H27N2O4+ and a molecular weight of 371.46 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
PubChem CID9268265
Molecular FormulaC21H27N2O4+
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-5-3-17(4-6-18)21(24)23-13-11-22(12-14-23)15-16-27-20-9-7-19(26-2)8-10-20/h3-10H,11-16H2,1-2H3/p+1
InChIKeyNUWFSHWNAZZTED-UHFFFAOYSA-O
XLogP1.12
TPSA52.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 9266970
N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7231878
[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone chloride
CID 43834277
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
(4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744235
[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone
CID 4754515
1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
CID 4755638
1-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9301071
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone (CID 9268265) is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NUWFSHWNAZZTED-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-5-3-17(4-6-18)21(24)23-13-11-22(12-14-23)15-16-27-20-9-7-19(26-2)8-10-20/h3-10H,11-16H2,1-2H3/p+1.
What are the key properties of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone?
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 371.46 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 9268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).