3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C20H28N4O2S — CID 128505680

IUPAC3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=S(=O)(CC12CCC(CC1)CC2)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C20H28N4O2S/c25-27(26,15-20-9-6-16(7-10-20)8-11-20)23-12-3-4-17(14-23)19-22-21-18-5-1-2-13-24(18)19/h1-2,5,13,16-17H,3-4,6-12,14-15H2
InChIKeySHWMTPCDTPFZIB-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.21
Rot. Bonds4

About 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 128505680) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID128505680
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=S(=O)(CC12CCC(CC1)CC2)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C20H28N4O2S/c25-27(26,15-20-9-6-16(7-10-20)8-11-20)23-12-3-4-17(14-23)19-22-21-18-5-1-2-13-24(18)19/h1-2,5,13,16-17H,3-4,6-12,14-15H2
InChIKeySHWMTPCDTPFZIB-UHFFFAOYSA-N
XLogP3.21
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(1-spiro[2.3]hexan-5-ylsulfonylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 154786862
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124612466
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 71900155
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42581450
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 42649946
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
[1-(3-fluorophenyl)cyclopropyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138998462
[1-(2-bromophenyl)cyclopropyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 139006952
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 128505680) is 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is O=S(=O)(CC12CCC(CC1)CC2)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SHWMTPCDTPFZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c25-27(26,15-20-9-6-16(7-10-20)8-11-20)23-12-3-4-17(14-23)19-22-21-18-5-1-2-13-24(18)19/h1-2,5,13,16-17H,3-4,6-12,14-15H2.
What are the key properties of 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 388.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-bicyclo[2.2.2]octanylmethylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 128505680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).