(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

C18H26N2O3 — CID 124893160

IUPAC(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cncc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)c1
InChIInChI=1S/C18H26N2O3/c1-2-17(10-19-6-1)22-12-16-5-9-23-18(16)13-20(14-18)11-15-3-7-21-8-4-15/h1-2,6,10,15-16H,3-5,7-9,11-14H2/t16-/m1/s1
InChIKeyABBMVBKWJDWCRA-MRXNPFEDSA-N
MW318.42 g/mol
LogP1.98
Rot. Bonds5

About (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124893160) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124893160
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cncc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)c1
InChIInChI=1S/C18H26N2O3/c1-2-17(10-19-6-1)22-12-16-5-9-23-18(16)13-20(14-18)11-15-3-7-21-8-4-15/h1-2,6,10,15-16H,3-5,7-9,11-14H2/t16-/m1/s1
InChIKeyABBMVBKWJDWCRA-MRXNPFEDSA-N
XLogP1.98
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(8R)-2-(pyridin-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789845
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
N,N-dimethyl-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131643241
8-(oxan-4-ylmethyl)-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155839117
2-cyclopropyl-1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155866399
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 131640761
[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124788339
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124893160) is (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1cncc(OC[C@H]2CCOC23CN(CC2CCOCC2)C3)c1.
What is the InChIKey of (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is ABBMVBKWJDWCRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-17(10-19-6-1)22-12-16-5-9-23-18(16)13-20(14-18)11-15-3-7-21-8-4-15/h1-2,6,10,15-16H,3-5,7-9,11-14H2/t16-/m1/s1.
What are the key properties of (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 318.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124893160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).