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

C18H26N2O3 — CID 124893412

IUPAC(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1
InChIInChI=1S/C18H26N2O3/c1-2-7-19-17(3-1)22-12-16-6-10-23-18(16)13-20(14-18)11-15-4-8-21-9-5-15/h1-3,7,15-16H,4-6,8-14H2/t16-/m0/s1
InChIKeyIAWAWKVPHZCOGN-INIZCTEOSA-N
MW318.42 g/mol
LogP1.98
Rot. Bonds5

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

(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124893412) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124893412
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1
InChIInChI=1S/C18H26N2O3/c1-2-7-19-17(3-1)22-12-16-6-10-23-18(16)13-20(14-18)11-15-4-8-21-9-5-15/h1-3,7,15-16H,4-6,8-14H2/t16-/m0/s1
InChIKeyIAWAWKVPHZCOGN-INIZCTEOSA-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 (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893160
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124781639
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124911905
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124795040
2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131641308
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124807188
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155861543
2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131655467
2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155863812
4-methyl-1-[8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid
CID 155861378
pyridazin-4-yl-[(4S,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451918

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124893412) is (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1ccc(OC[C@@H]2CCOC23CN(CC2CCOCC2)C3)nc1.
What is the InChIKey of (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is IAWAWKVPHZCOGN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-7-19-17(3-1)22-12-16-6-10-23-18(16)13-20(14-18)11-15-4-8-21-9-5-15/h1-3,7,15-16H,4-6,8-14H2/t16-/m0/s1.
What are the key properties of (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-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 (8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124893412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).