2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride

C17H25ClN2O4 — CID 45370124

IUPAC2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
SMILESCOc1ccc(OCC(=O)N2CCOC23CCN(C)CC3)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-18-9-7-17(8-10-18)19(11-12-23-17)16(20)13-22-15-5-3-14(21-2)4-6-15;/h3-6H,7-13H2,1-2H3;1H
InChIKeyULZGTGBPWQLBIV-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride

2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride (PubChem CID 45370124) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
PubChem CID45370124
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
SMILESCOc1ccc(OCC(=O)N2CCOC23CCN(C)CC3)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-18-9-7-17(8-10-18)19(11-12-23-17)16(20)13-22-15-5-3-14(21-2)4-6-15;/h3-6H,7-13H2,1-2H3;1H
InChIKeyULZGTGBPWQLBIV-UHFFFAOYSA-N
XLogP1.78
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
CID 45370980
[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
CID 6404595
2-methoxy-1-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 7295622
1-(4-methoxyphenoxy)butane-2,3-dione
CID 69127399
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 25238363
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-[4-(hydroxymethyl)phenoxy]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 138035512
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)methanone;hydrochloride
CID 45370973
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride (CID 45370124) is 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride is COc1ccc(OCC(=O)N2CCOC23CCN(C)CC3)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride?
The InChIKey is ULZGTGBPWQLBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-18-9-7-17(8-10-18)19(11-12-23-17)16(20)13-22-15-5-3-14(21-2)4-6-15;/h3-6H,7-13H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride?
2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 45370124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).