1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

C19H28N2O3 — CID 131692798

IUPAC1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCCCCC(=O)N1CC2(CC(OCc3cnccc3C)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-3-4-5-18(22)21-13-19(14-21)10-17(7-9-24-19)23-12-16-11-20-8-6-15(16)2/h6,8,11,17H,3-5,7,9-10,12-14H2,1-2H3
InChIKeyHLXCOGBOHKRFKW-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.86
Rot. Bonds6

About 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (PubChem CID 131692798) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.

Molecular Properties

Compound Name1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
PubChem CID131692798
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCCCCC(=O)N1CC2(CC(OCc3cnccc3C)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-3-4-5-18(22)21-13-19(14-21)10-17(7-9-24-19)23-12-16-11-20-8-6-15(16)2/h6,8,11,17H,3-5,7,9-10,12-14H2,1-2H3
InChIKeyHLXCOGBOHKRFKW-UHFFFAOYSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one with MolForge

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Related Compounds

(8S)-2-cyclopentyl-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124790661
1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131695270
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796331
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124806846
2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 133137575
1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155861620
(3,5-dimethylphenyl)-[(8R)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124793361
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
CID 133143306
2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794398
3-(2-methylphenyl)-1-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155832211
3-methoxy-1-[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124795283

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The IUPAC name of 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (CID 131692798) is 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.
What is the SMILES notation for 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The canonical SMILES for 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is CCCCC(=O)N1CC2(CC(OCc3cnccc3C)CCO2)C1.
What is the InChIKey of 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The InChIKey is HLXCOGBOHKRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-5-18(22)21-13-19(14-21)10-17(7-9-24-19)23-12-16-11-20-8-6-15(16)2/h6,8,11,17H,3-5,7,9-10,12-14H2,1-2H3.
What are the key properties of 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is sourced from PubChem (CID 131692798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).