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

C18H18N6O2 — CID 91918656

IUPACpyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC(Cc2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H18N6O2/c25-18(15-11-19-7-8-21-15)24-9-3-4-13(12-24)10-16-22-17(26-23-16)14-5-1-2-6-20-14/h1-2,5-8,11,13H,3-4,9-10,12H2
InChIKeyHZEHMILWJTZTSL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.02
Rot. Bonds4

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

pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91918656) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91918656
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Namepyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC(Cc2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C18H18N6O2/c25-18(15-11-19-7-8-21-15)24-9-3-4-13(12-24)10-16-22-17(26-23-16)14-5-1-2-6-20-14/h1-2,5-8,11,13H,3-4,9-10,12H2
InChIKeyHZEHMILWJTZTSL-UHFFFAOYSA-N
XLogP2.02
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 91918654
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91892086
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110129119
naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642217
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993788
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91911296

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91918656) is pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is O=C(c1cnccn1)N1CCCC(Cc2noc(-c3ccccn3)n2)C1.
What is the InChIKey of pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is HZEHMILWJTZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(15-11-19-7-8-21-15)24-9-3-4-13(12-24)10-16-22-17(26-23-16)14-5-1-2-6-20-14/h1-2,5-8,11,13H,3-4,9-10,12H2.
What are the key properties of pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 350.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).