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

C17H23N5O2 — CID 90642162

IUPAC1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-2-3-6-16(23)22-9-4-5-13(12-22)10-15-20-17(21-24-15)14-11-18-7-8-19-14/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKeyYIDJZESPKNBHHY-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.50
Rot. Bonds6

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

1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one (PubChem CID 90642162) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
PubChem CID90642162
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-2-3-6-16(23)22-9-4-5-13(12-22)10-15-20-17(21-24-15)14-11-18-7-8-19-14/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKeyYIDJZESPKNBHHY-UHFFFAOYSA-N
XLogP2.50
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one (CID 90642162) is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?
The InChIKey is YIDJZESPKNBHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-3-6-16(23)22-9-4-5-13(12-22)10-15-20-17(21-24-15)14-11-18-7-8-19-14/h7-8,11,13H,2-6,9-10,12H2,1H3.
What are the key properties of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?
1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90642162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).