2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone

C22H25NO5 — CID 126471836

IUPAC2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2
InChIInChI=1S/C22H25NO5/c1-25-18-8-4-3-6-16(18)14-20(24)23-12-10-22(11-13-23)27-15-17-7-5-9-19(26-2)21(17)28-22/h3-9H,10-15H2,1-2H3
InChIKeyYGPMRZXSPIUGDF-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone

2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone (PubChem CID 126471836) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
PubChem CID126471836
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2
InChIInChI=1S/C22H25NO5/c1-25-18-8-4-3-6-16(18)14-20(24)23-12-10-22(11-13-23)27-15-17-7-5-9-19(26-2)21(17)28-22/h3-9H,10-15H2,1-2H3
InChIKeyYGPMRZXSPIUGDF-UHFFFAOYSA-N
XLogP3.17
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone with MolForge

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Related Compounds

(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
CID 126474598
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
3-(3,4-dimethoxyphenyl)-1-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylpropan-1-one
CID 126474746
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
CID 109025362
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000606
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
[3-[4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926754
tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125229
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone (CID 126471836) is 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone is COc1ccccc1CC(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The InChIKey is YGPMRZXSPIUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-18-8-4-3-6-16(18)14-20(24)23-12-10-22(11-13-23)27-15-17-7-5-9-19(26-2)21(17)28-22/h3-9H,10-15H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone has a molecular weight of 383.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 126471836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).