2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone

C24H27N2O3+ — CID 9397408

IUPAC2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N2O3/c1-28-22-11-4-5-12-23(22)29-18-24(27)26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12H,13-18H2,1H3/p+1
InChIKeyLRUBVNRCOIWVMY-UHFFFAOYSA-O
MW391.49 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone (PubChem CID 9397408) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone
PubChem CID9397408
Molecular FormulaC24H27N2O3+
Molecular Weight391.49 g/mol
Exact Mass391.20
IUPAC Name2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N2O3/c1-28-22-11-4-5-12-23(22)29-18-24(27)26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12H,13-18H2,1H3/p+1
InChIKeyLRUBVNRCOIWVMY-UHFFFAOYSA-O
XLogP2.15
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 2998912
1-[4-(2-Methoxybenzyl)piperazin-1-yl]-2-(naphthalen-2-yloxy)ethanone
CID 4679128
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-phenylphenoxy)acetamide
CID 4881471
2-(2,6-dimethoxyphenoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 14183466
2-(3,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 15945196
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide
CID 16438220
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 39985305
2-(3-chlorophenoxy)-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)acetamide
CID 44562404
N-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-N-methyl-2-phenoxyacetamide
CID 44570364
N-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 44570365
N-[2-(3-methoxyphenyl)ethyl]-2-phenoxy-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 44593551
N-(3-methoxypropyl)-2-phenoxy-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 44593552

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone (CID 9397408) is 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone is COc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone?
The InChIKey is LRUBVNRCOIWVMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-28-22-11-4-5-12-23(22)29-18-24(27)26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12H,13-18H2,1H3/p+1.
What are the key properties of 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone has a molecular weight of 391.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone is sourced from PubChem (CID 9397408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).