8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C13H18N2O2 — CID 133139485

IUPAC8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cncc(COCC2CCOC23CNC3)c1
InChIInChI=1S/C13H18N2O2/c1-2-11(6-14-4-1)7-16-8-12-3-5-17-13(12)9-15-10-13/h1-2,4,6,12,15H,3,5,7-10H2
InChIKeyJRUIAWCATCOKIR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 133139485) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID133139485
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cncc(COCC2CCOC23CNC3)c1
InChIInChI=1S/C13H18N2O2/c1-2-11(6-14-4-1)7-16-8-12-3-5-17-13(12)9-15-10-13/h1-2,4,6,12,15H,3,5,7-10H2
InChIKeyJRUIAWCATCOKIR-UHFFFAOYSA-N
XLogP0.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796490
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489
2-(4-fluorophenyl)-1-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836280
(2-methyl-1,3-thiazol-4-yl)-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658059
(4S)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813519
(4R)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813520
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124911905
3-(oxiran-2-ylmethoxymethyl)pyridine
CID 23054420
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
2-cyclopropyl-1-[(4S)-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124791732
cyclobutyl-[8-[2-(pyridin-3-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862417
[4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155868641

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 133139485) is 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1cncc(COCC2CCOC23CNC3)c1.
What is the InChIKey of 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is JRUIAWCATCOKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-11(6-14-4-1)7-16-8-12-3-5-17-13(12)9-15-10-13/h1-2,4,6,12,15H,3,5,7-10H2.
What are the key properties of 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 133139485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).