4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

C19H28N2O3 — CID 131692918

IUPAC4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC2(CC(OCc3ccncc3)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-15(2)3-4-18(22)21-13-19(14-21)11-17(7-10-24-19)23-12-16-5-8-20-9-6-16/h5-6,8-9,15,17H,3-4,7,10-14H2,1-2H3
InChIKeyGADBPPFJHLKEJJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.79
Rot. Bonds6

About 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one

4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (PubChem CID 131692918) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
PubChem CID131692918
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC2(CC(OCc3ccncc3)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-15(2)3-4-18(22)21-13-19(14-21)11-17(7-10-24-19)23-12-16-5-8-20-9-6-16/h5-6,8-9,15,17H,3-4,7,10-14H2,1-2H3
InChIKeyGADBPPFJHLKEJJ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3,5-dimethylphenyl)-[(8R)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124793361
4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692866
[(8S)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 124796510
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692798
(3,5-dimethylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859282
imidazo[1,2-a]pyridin-3-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131693115
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796331
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124806524
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815514
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124815516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one (CID 131692918) is 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is CC(C)CCC(=O)N1CC2(CC(OCc3ccncc3)CCO2)C1.
What is the InChIKey of 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
The InChIKey is GADBPPFJHLKEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(2)3-4-18(22)21-13-19(14-21)11-17(7-10-24-19)23-12-16-5-8-20-9-6-16/h5-6,8-9,15,17H,3-4,7,10-14H2,1-2H3.
What are the key properties of 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one?
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one is sourced from PubChem (CID 131692918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).