(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane

C20H26N4O — CID 124818166

IUPAC(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@H](COc2ccccn2)CC12CN(Cc1ccncc1)C2
InChIInChI=1S/C20H26N4O/c1-23-11-7-18(14-25-19-4-2-3-8-22-19)12-20(23)15-24(16-20)13-17-5-9-21-10-6-17/h2-6,8-10,18H,7,11-16H2,1H3/t18-/m0/s1
InChIKeyMZGAORZCELOYSP-SFHVURJKSA-N
MW338.45 g/mol
LogP2.45
Rot. Bonds5

About (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane

(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 124818166) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID124818166
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@H](COc2ccccn2)CC12CN(Cc1ccncc1)C2
InChIInChI=1S/C20H26N4O/c1-23-11-7-18(14-25-19-4-2-3-8-22-19)12-20(23)15-24(16-20)13-17-5-9-21-10-6-17/h2-6,8-10,18H,7,11-16H2,1H3/t18-/m0/s1
InChIKeyMZGAORZCELOYSP-SFHVURJKSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124817621
2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole
CID 131654777
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155851901
5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678470
[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 124816295
2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
CID 171692982
2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783

Frequently Asked Questions

What is the IUPAC name of (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane (CID 124818166) is (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane is CN1CC[C@H](COc2ccccn2)CC12CN(Cc1ccncc1)C2.
What is the InChIKey of (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is MZGAORZCELOYSP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-11-7-18(14-25-19-4-2-3-8-22-19)12-20(23)15-24(16-20)13-17-5-9-21-10-6-17/h2-6,8-10,18H,7,11-16H2,1H3/t18-/m0/s1.
What are the key properties of (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 338.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 124818166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).