4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine

C16H22N6O4S — CID 86266090

IUPAC4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H22N6O4S/c23-27(24,21-6-8-25-9-7-21)22-5-1-2-13(12-22)10-15-19-16(20-26-15)14-11-17-3-4-18-14/h3-4,11,13H,1-2,5-10,12H2
InChIKeyHKRMLOCTHWEJHN-UHFFFAOYSA-N
MW394.46 g/mol
LogP0.36
Rot. Bonds5

About 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine

4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine (PubChem CID 86266090) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
PubChem CID86266090
Molecular FormulaC16H22N6O4S
Molecular Weight394.46 g/mol
Exact Mass394.14
IUPAC Name4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H22N6O4S/c23-27(24,21-6-8-25-9-7-21)22-5-1-2-13(12-22)10-15-19-16(20-26-15)14-11-17-3-4-18-14/h3-4,11,13H,1-2,5-10,12H2
InChIKeyHKRMLOCTHWEJHN-UHFFFAOYSA-N
XLogP0.36
TPSA114.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642450
3-pyrazin-2-yl-5-[[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99994497
5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642429
5-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642426
5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642441
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207
5-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 90642465
N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642397
3-(2-methylphenyl)-5-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90642118
2-cyclopentylsulfanyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642127
2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642167
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90642279

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine (CID 86266090) is 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine?
The InChIKey is HKRMLOCTHWEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4S/c23-27(24,21-6-8-25-9-7-21)22-5-1-2-13(12-22)10-15-19-16(20-26-15)14-11-17-3-4-18-14/h3-4,11,13H,1-2,5-10,12H2.
What are the key properties of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine?
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine has a molecular weight of 394.46 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 86266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).