2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C18H26N2O3 — CID 97129702

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C18H26N2O3/c1-3-15-16(6-5-14(2)19-15)23-11-17(21)20-9-4-7-18(12-20)8-10-22-13-18/h5-6H,3-4,7-13H2,1-2H3/t18-/m0/s1
InChIKeyKCHDMFADCNITEK-SFHVURJKSA-N
MW318.42 g/mol
LogP2.36
Rot. Bonds4

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97129702) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID97129702
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C18H26N2O3/c1-3-15-16(6-5-14(2)19-15)23-11-17(21)20-9-4-7-18(12-20)8-10-22-13-18/h5-6H,3-4,7-13H2,1-2H3/t18-/m0/s1
InChIKeyKCHDMFADCNITEK-SFHVURJKSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

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Related Compounds

(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133524
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 95727847
2-(1,3-benzodioxol-5-yloxy)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97120746
2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 71854849
3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97115570
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 45244535
2-(3-methyl-4-propan-2-ylphenoxy)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99697772
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
3-[(3R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-3-yl]benzoic acid
CID 97202777
1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 97145730

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97129702) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is CCc1nc(C)ccc1OCC(=O)N1CCC[C@]2(CCOC2)C1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is KCHDMFADCNITEK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-15-16(6-5-14(2)19-15)23-11-17(21)20-9-4-7-18(12-20)8-10-22-13-18/h5-6H,3-4,7-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97129702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).