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

C24H32N2O3 — CID 131692888

IUPAC1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CC(OCc3ccccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O3/c27-22(23-10-17-7-18(11-23)9-19(8-17)12-23)26-15-24(16-26)13-21(4-6-29-24)28-14-20-3-1-2-5-25-20/h1-3,5,17-19,21H,4,6-16H2
InChIKeyJRYDZARDJWXIEL-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.57
Rot. Bonds4

About 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692888) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131692888
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CC(OCc3ccccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O3/c27-22(23-10-17-7-18(11-23)9-19(8-17)12-23)26-15-24(16-26)13-21(4-6-29-24)28-14-20-3-1-2-5-25-20/h1-3,5,17-19,21H,4,6-16H2
InChIKeyJRYDZARDJWXIEL-UHFFFAOYSA-N
XLogP3.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656071
(4-methylphenyl)-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124821748
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794996
(2,6-dimethyl-4-pyridinyl)-[(8S)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797141
(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-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692091
(3-methyl-1-benzofuran-2-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692617
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833
1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
CID 133142918
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692888) is 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(N1CC2(CC(OCc3ccccn3)CCO2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is JRYDZARDJWXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-22(23-10-17-7-18(11-23)9-19(8-17)12-23)26-15-24(16-26)13-21(4-6-29-24)28-14-20-3-1-2-5-25-20/h1-3,5,17-19,21H,4,6-16H2.
What are the key properties of 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 396.53 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).