4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile

C20H18N6O2 — CID 90642279

About 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile

4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile (PubChem CID 90642279) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
• PubChem CID: 90642279
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
• SMILES: N#Cc1ccc(C(=O)N2CCCC(Cc3nc(-c4cnccn4)no3)C2)cc1
• InChI: InChI=1S/C20H18N6O2/c21-11-14-3-5-16(6-4-14)20(27)26-9-1-2-15(13-26)10-18-24-19(25-28-18)17-12-22-7-8-23-17/h3-8,12,15H,1-2,9-10,13H2
• InChIKey: IQHRONSWWNQXKP-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 108.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile?

The IUPAC name of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile (CID 90642279) is 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile.

What is the SMILES notation for 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile?

The canonical SMILES for 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCCC(Cc3nc(-c4cnccn4)no3)C2)cc1.

What is the InChIKey of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile?

The InChIKey is IQHRONSWWNQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-11-14-3-5-16(6-4-14)20(27)26-9-1-2-15(13-26)10-18-24-19(25-28-18)17-12-22-7-8-23-17/h3-8,12,15H,1-2,9-10,13H2.

What are the key properties of 4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile?

4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 374.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 90642279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).