[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

C19H22N2O3S — CID 131643944

IUPAC[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C19H22N2O3S/c22-18(15-3-9-25-13-15)21-7-4-19(5-8-21)10-17(24-14-19)12-23-16-2-1-6-20-11-16/h1-3,6,9,11,13,17H,4-5,7-8,10,12,14H2
InChIKeyWBELSKPPOLLDFR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.23
Rot. Bonds4

About [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (PubChem CID 131643944) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
PubChem CID131643944
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C19H22N2O3S/c22-18(15-3-9-25-13-15)21-7-4-19(5-8-21)10-17(24-14-19)12-23-16-2-1-6-20-11-16/h1-3,6,9,11,13,17H,4-5,7-8,10,12,14H2
InChIKeyWBELSKPPOLLDFR-UHFFFAOYSA-N
XLogP3.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837995
cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658739
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418347
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
3-(pyridin-3-yloxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852908
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 131640761
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
(3R)-8-(furan-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418304
8-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155850077

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (CID 131643944) is [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)COC(COc1cccnc1)C2.
What is the InChIKey of [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The InChIKey is WBELSKPPOLLDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(15-3-9-25-13-15)21-7-4-19(5-8-21)10-17(24-14-19)12-23-16-2-1-6-20-11-16/h1-3,6,9,11,13,17H,4-5,7-8,10,12,14H2.
What are the key properties of [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone has a molecular weight of 358.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131643944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).