4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C17H27N3O — CID 91910522

IUPAC4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C17H27N3O/c1-19-12-16(13-21-2)17(14-19)5-8-20(9-6-17)11-15-4-3-7-18-10-15/h3-4,7,10,16H,5-6,8-9,11-14H2,1-2H3
InChIKeyQWSHLLXCRGZQDG-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds4

About 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910522) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910522
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C17H27N3O/c1-19-12-16(13-21-2)17(14-19)5-8-20(9-6-17)11-15-4-3-7-18-10-15/h3-4,7,10,16H,5-6,8-9,11-14H2,1-2H3
InChIKeyQWSHLLXCRGZQDG-UHFFFAOYSA-N
XLogP1.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124815069
8-(cyclobutylmethyl)-4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171693220
8-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922090
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149
(8R)-8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124797580
8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131663196
[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921973
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124815773

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 91910522) is 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1cccnc1)CC2.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is QWSHLLXCRGZQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-12-16(13-21-2)17(14-19)5-8-20(9-6-17)11-15-4-3-7-18-10-15/h3-4,7,10,16H,5-6,8-9,11-14H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 289.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).