3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C20H26N2O2S — CID 131645218

IUPAC3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCC2CC3(CCN(Cc4cccs4)CC3)CO2)nc1
InChIInChI=1S/C20H26N2O2S/c1-2-8-21-17(4-1)14-23-15-18-12-20(16-24-18)6-9-22(10-7-20)13-19-5-3-11-25-19/h1-5,8,11,18H,6-7,9-10,12-16H2
InChIKeyFNRWBUHJLMEJSQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.73
Rot. Bonds6

About 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131645218) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID131645218
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCC2CC3(CCN(Cc4cccs4)CC3)CO2)nc1
InChIInChI=1S/C20H26N2O2S/c1-2-8-21-17(4-1)14-23-15-18-12-20(16-24-18)6-9-22(10-7-20)13-19-5-3-11-25-19/h1-5,8,11,18H,6-7,9-10,12-16H2
InChIKeyFNRWBUHJLMEJSQ-UHFFFAOYSA-N
XLogP3.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131651226
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
3-(pyridin-2-ylmethoxymethyl)-8-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155833160
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97486150
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418410
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124909588
(5S)-10-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472200
(4aS,8aS)-4a-(pyridin-2-ylmethoxymethyl)-6-(thiophen-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364156

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131645218) is 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is c1ccc(COCC2CC3(CCN(Cc4cccs4)CC3)CO2)nc1.
What is the InChIKey of 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is FNRWBUHJLMEJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-8-21-17(4-1)14-23-15-18-12-20(16-24-18)6-9-22(10-7-20)13-19-5-3-11-25-19/h1-5,8,11,18H,6-7,9-10,12-16H2.
What are the key properties of 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 358.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131645218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).