cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H28N2O3 — CID 131658739

IUPACcyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1=CCCCC1)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C21H28N2O3/c24-20(17-5-2-1-3-6-17)23-11-8-21(9-12-23)13-19(26-16-21)15-25-18-7-4-10-22-14-18/h4-5,7,10,14,19H,1-3,6,8-9,11-13,15-16H2
InChIKeyYSONTNJFUPFYBL-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds4

About cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 131658739) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID131658739
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Namecyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1=CCCCC1)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C21H28N2O3/c24-20(17-5-2-1-3-6-17)23-11-8-21(9-12-23)13-19(26-16-21)15-25-18-7-4-10-22-14-18/h4-5,7,10,14,19H,1-3,6,8-9,11-13,15-16H2
InChIKeyYSONTNJFUPFYBL-UHFFFAOYSA-N
XLogP3.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418347
[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 131643944
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
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
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418316
[(4aR,8aR)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
CID 97364027

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 131658739) is cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(C1=CCCCC1)N1CCC2(CC1)COC(COc1cccnc1)C2.
What is the InChIKey of cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is YSONTNJFUPFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(17-5-2-1-3-6-17)23-11-8-21(9-12-23)13-19(26-16-21)15-25-18-7-4-10-22-14-18/h4-5,7,10,14,19H,1-3,6,8-9,11-13,15-16H2.
What are the key properties of cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131658739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).