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

C21H21N7O2 — CID 99993760

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

2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 99993760) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 99993760
• Molecular Formula: C21H21N7O2
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.18
• IUPAC Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
• SMILES: O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C21H21N7O2/c29-20(13-28-14-24-16-5-1-2-6-18(16)28)27-9-3-4-15(12-27)10-19-25-21(26-30-19)17-11-22-7-8-23-17/h1-2,5-8,11,14-15H,3-4,9-10,12-13H2/t15-/m0/s1
• InChIKey: ZFFBSKMCDDRZAM-HNNXBMFYSA-N
• XLogP: 2.36
• TPSA: 102.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 99993760) is 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is ZFFBSKMCDDRZAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N7O2/c29-20(13-28-14-24-16-5-1-2-6-18(16)28)27-9-3-4-15(12-27)10-19-25-21(26-30-19)17-11-22-7-8-23-17/h1-2,5-8,11,14-15H,3-4,9-10,12-13H2/t15-/m0/s1.

What are the key properties of 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?

2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 403.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 99993760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).