8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C22H28N2O2 — CID 131643166

IUPAC8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(CCN2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1
InChIInChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)8-12-24-13-9-22(10-14-24)15-21(18-26-22)25-17-20-7-4-11-23-16-20/h1-7,11,16,21H,8-10,12-15,17-18H2
InChIKeyJXYJUUQQGLMAKK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.46
Rot. Bonds6

About 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131643166) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131643166
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(CCN2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1
InChIInChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)8-12-24-13-9-22(10-14-24)15-21(18-26-22)25-17-20-7-4-11-23-16-20/h1-7,11,16,21H,8-10,12-15,17-18H2
InChIKeyJXYJUUQQGLMAKK-UHFFFAOYSA-N
XLogP3.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418992
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
(3S,5R)-7-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124520516
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457
(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97475098
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 134074923
(3R,5S)-7-cyclopropylsulfonyl-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97420002
(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131659490

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 131643166) is 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is c1ccc(CCN2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1.
What is the InChIKey of 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JXYJUUQQGLMAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)8-12-24-13-9-22(10-14-24)15-21(18-26-22)25-17-20-7-4-11-23-16-20/h1-7,11,16,21H,8-10,12-15,17-18H2.
What are the key properties of 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 352.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131643166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).