(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane

C21H28N4O — CID 124821477

IUPAC(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@H](COCc2ccccn2)CC12CN(Cc1ccccn1)C2
InChIInChI=1S/C21H28N4O/c1-24-11-8-18(14-26-15-20-7-3-5-10-23-20)12-21(24)16-25(17-21)13-19-6-2-4-9-22-19/h2-7,9-10,18H,8,11-17H2,1H3/t18-/m0/s1
InChIKeyXCGQBBXSLLIFST-SFHVURJKSA-N
MW352.48 g/mol
LogP2.59
Rot. Bonds6

About (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane

(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 124821477) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID124821477
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@H](COCc2ccccn2)CC12CN(Cc1ccccn1)C2
InChIInChI=1S/C21H28N4O/c1-24-11-8-18(14-26-15-20-7-3-5-10-23-20)12-21(24)16-25(17-21)13-19-6-2-4-9-22-19/h2-7,9-10,18H,8,11-17H2,1H3/t18-/m0/s1
InChIKeyXCGQBBXSLLIFST-SFHVURJKSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane with MolForge

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Related Compounds

[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131671777
8-(methoxymethyl)-5-methyl-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171693362
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215
2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155832108
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131644582
(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124818166
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
CID 131671702
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
2-[(3,5-dimethoxyphenyl)methyl]-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677402

Frequently Asked Questions

What is the IUPAC name of (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane (CID 124821477) is (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane is CN1CC[C@H](COCc2ccccn2)CC12CN(Cc1ccccn1)C2.
What is the InChIKey of (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is XCGQBBXSLLIFST-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-11-8-18(14-26-15-20-7-3-5-10-23-20)12-21(24)16-25(17-21)13-19-6-2-4-9-22-19/h2-7,9-10,18H,8,11-17H2,1H3/t18-/m0/s1.
What are the key properties of (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane?
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 352.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 124821477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).