5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane

C20H27N3OS — CID 131678470

IUPAC5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CCC(COCc2ccncc2)CC12CN(Cc1ccsc1)C2
InChIInChI=1S/C20H27N3OS/c1-22-8-4-18(13-24-12-17-2-6-21-7-3-17)10-20(22)15-23(16-20)11-19-5-9-25-14-19/h2-3,5-7,9,14,18H,4,8,10-13,15-16H2,1H3
InChIKeyOQTSJAVNORJEKB-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.26
Rot. Bonds6

About 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane

5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 131678470) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID131678470
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CCC(COCc2ccncc2)CC12CN(Cc1ccsc1)C2
InChIInChI=1S/C20H27N3OS/c1-22-8-4-18(13-24-12-17-2-6-21-7-3-17)10-20(22)15-23(16-20)11-19-5-9-25-14-19/h2-3,5-7,9,14,18H,4,8,10-13,15-16H2,1H3
InChIKeyOQTSJAVNORJEKB-UHFFFAOYSA-N
XLogP3.26
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane with MolForge

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Related Compounds

8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole
CID 131677507
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
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.4]octane
CID 131695629
2-[(3,5-dimethoxyphenyl)methyl]-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677402
5-methyl-2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155856065
[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
4a-(pyridin-4-ylmethoxymethyl)-6-(thiophen-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131651583
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 133142916

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane (CID 131678470) is 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane is CN1CCC(COCc2ccncc2)CC12CN(Cc1ccsc1)C2.
What is the InChIKey of 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is OQTSJAVNORJEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22-8-4-18(13-24-12-17-2-6-21-7-3-17)10-20(22)15-23(16-20)11-19-5-9-25-14-19/h2-3,5-7,9,14,18H,4,8,10-13,15-16H2,1H3.
What are the key properties of 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane?
5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 357.52 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131678470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).