(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C18H22N2O3 — CID 124804079

IUPAC(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2ccco2)C3)c1
InChIInChI=1S/C18H22N2O3/c1-3-15(10-19-6-1)12-22-16-5-8-23-18(9-16)13-20(14-18)11-17-4-2-7-21-17/h1-4,6-7,10,16H,5,8-9,11-14H2/t16-/m0/s1
InChIKeyUEQJXSVNRINTHK-INIZCTEOSA-N
MW314.38 g/mol
LogP2.62
Rot. Bonds5

About (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124804079) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124804079
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2ccco2)C3)c1
InChIInChI=1S/C18H22N2O3/c1-3-15(10-19-6-1)12-22-16-5-8-23-18(9-16)13-20(14-18)11-17-4-2-7-21-17/h1-4,6-7,10,16H,5,8-9,11-14H2/t16-/m0/s1
InChIKeyUEQJXSVNRINTHK-INIZCTEOSA-N
XLogP2.62
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(pyridin-3-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 131638400
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402
cyclopent-3-en-1-yl-[8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136522
2-[[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131650208
2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794398
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796331
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137575
2-ethylsulfonyl-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155860853
(2-methoxy-3-pyridinyl)-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124789150
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815514
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516
(3S)-8-(furan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419037

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 124804079) is (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is c1cncc(CO[C@H]2CCOC3(C2)CN(Cc2ccco2)C3)c1.
What is the InChIKey of (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is UEQJXSVNRINTHK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-15(10-19-6-1)12-22-16-5-8-23-18(9-16)13-20(14-18)11-17-4-2-7-21-17/h1-4,6-7,10,16H,5,8-9,11-14H2/t16-/m0/s1.
What are the key properties of (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 314.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(furan-2-ylmethyl)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124804079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).