[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C17H24N2O3 — CID 97487075

IUPAC[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-21-11-4-14-12-17(22-13-14)5-9-19(10-6-17)16(20)15-2-7-18-8-3-15/h2-3,7-8,14H,4-6,9-13H2,1H3/t14-/m0/s1
InChIKeyUOYBQMLSYXUHDO-AWEZNQCLSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds4

About [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 97487075) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID97487075
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-21-11-4-14-12-17(22-13-14)5-9-19(10-6-17)16(20)15-2-7-18-8-3-15/h2-3,7-8,14H,4-6,9-13H2,1H3/t14-/m0/s1
InChIKeyUOYBQMLSYXUHDO-AWEZNQCLSA-N
XLogP2.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97394035

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 97487075) is [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is COCC[C@@H]1COC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is UOYBQMLSYXUHDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-11-4-14-12-17(22-13-14)5-9-19(10-6-17)16(20)15-2-7-18-8-3-15/h2-3,7-8,14H,4-6,9-13H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97487075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).