3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one

C17H26N2O2 — CID 165421706

IUPAC3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cccn(C)c1=O)C2
InChIInChI=1S/C17H26N2O2/c1-18-10-4-6-14(16(18)20)12-19-11-5-9-17(13-19)8-3-7-15(17)21-2/h4,6,10,15H,3,5,7-9,11-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyIZARFPARWNPEGC-WBVHZDCISA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds3

About 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one

3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one (PubChem CID 165421706) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
PubChem CID165421706
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cccn(C)c1=O)C2
InChIInChI=1S/C17H26N2O2/c1-18-10-4-6-14(16(18)20)12-19-11-5-9-17(13-19)8-3-7-15(17)21-2/h4,6,10,15H,3,5,7-9,11-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyIZARFPARWNPEGC-WBVHZDCISA-N
XLogP2.17
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one
CID 135115525
(4R,5R)-7-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135094596
(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164693173

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one (CID 165421706) is 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one is CO[C@@H]1CCC[C@@]12CCCN(Cc1cccn(C)c1=O)C2.
What is the InChIKey of 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is IZARFPARWNPEGC-WBVHZDCISA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-10-4-6-14(16(18)20)12-19-11-5-9-17(13-19)8-3-7-15(17)21-2/h4,6,10,15H,3,5,7-9,11-13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one?
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 165421706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).