(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C20H22N2O4 — CID 131692889

IUPAC(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CC2(CC(OCc3ccccn3)CCO2)C1
InChIInChI=1S/C20H22N2O4/c23-17-6-3-4-15(10-17)19(24)22-13-20(14-22)11-18(7-9-26-20)25-12-16-5-1-2-8-21-16/h1-6,8,10,18,23H,7,9,11-14H2
InChIKeyIDTGWKDAFYUBBN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.38
Rot. Bonds4

About (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692889) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131692889
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CC2(CC(OCc3ccccn3)CCO2)C1
InChIInChI=1S/C20H22N2O4/c23-17-6-3-4-15(10-17)19(24)22-13-20(14-22)11-18(7-9-26-20)25-12-16-5-1-2-8-21-16/h1-6,8,10,18,23H,7,9,11-14H2
InChIKeyIDTGWKDAFYUBBN-UHFFFAOYSA-N
XLogP2.38
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[(8S)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797141
(4-methylphenyl)-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124821748
[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656071
(4-methyl-2-pyridinyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136934
(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131650035
1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692888
(3-methyl-1-benzofuran-2-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692617
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794996
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625
phenyl-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97474956

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692889) is (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(c1cccc(O)c1)N1CC2(CC(OCc3ccccn3)CCO2)C1.
What is the InChIKey of (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is IDTGWKDAFYUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-17-6-3-4-15(10-17)19(24)22-13-20(14-22)11-18(7-9-26-20)25-12-16-5-1-2-8-21-16/h1-6,8,10,18,23H,7,9,11-14H2.
What are the key properties of (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).