(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone

C16H22N2O3 — CID 131657708

IUPAC(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
SMILESCCOC1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N2O3/c1-2-20-14-11-16(21-12-14)5-9-18(10-6-16)15(19)13-3-7-17-8-4-13/h3-4,7-8,14H,2,5-6,9-12H2,1H3
InChIKeyJAIXOPSTLZEOIW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds3

About (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone

(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone (PubChem CID 131657708) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
PubChem CID131657708
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
SMILESCCOC1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N2O3/c1-2-20-14-11-16(21-12-14)5-9-18(10-6-16)15(19)13-3-7-17-8-4-13/h3-4,7-8,14H,2,5-6,9-12H2,1H3
InChIKeyJAIXOPSTLZEOIW-UHFFFAOYSA-N
XLogP1.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796
[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97418817
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
(4,5-dimethylthiophen-2-yl)-[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418808
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
(3S)-3-ethoxy-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97371487
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97474158

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone (CID 131657708) is (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone is CCOC1COC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone?
The InChIKey is JAIXOPSTLZEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-20-14-11-16(21-12-14)5-9-18(10-6-16)15(19)13-3-7-17-8-4-13/h3-4,7-8,14H,2,5-6,9-12H2,1H3.
What are the key properties of (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone?
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone has a molecular weight of 290.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 131657708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).