2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C17H24N2O4 — CID 125223389

IUPAC2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESCOCC(=O)N1CC[C@@]2(C[C@H](OCc3cccc(C)n3)CO2)C1
InChIInChI=1S/C17H24N2O4/c1-13-4-3-5-14(18-13)9-22-15-8-17(23-10-15)6-7-19(12-17)16(20)11-21-2/h3-5,15H,6-12H2,1-2H3/t15-,17+/m0/s1
InChIKeyCRAMSJZZORRXGY-DOTOQJQBSA-N
MW320.39 g/mol
LogP1.31
Rot. Bonds5

About 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 125223389) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
PubChem CID125223389
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESCOCC(=O)N1CC[C@@]2(C[C@H](OCc3cccc(C)n3)CO2)C1
InChIInChI=1S/C17H24N2O4/c1-13-4-3-5-14(18-13)9-22-15-8-17(23-10-15)6-7-19(12-17)16(20)11-21-2/h3-5,15H,6-12H2,1-2H3/t15-,17+/m0/s1
InChIKeyCRAMSJZZORRXGY-DOTOQJQBSA-N
XLogP1.31
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 125223389) is 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is COCC(=O)N1CC[C@@]2(C[C@H](OCc3cccc(C)n3)CO2)C1.
What is the InChIKey of 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is CRAMSJZZORRXGY-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13-4-3-5-14(18-13)9-22-15-8-17(23-10-15)6-7-19(12-17)16(20)11-21-2/h3-5,15H,6-12H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 125223389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).