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

C20H29N5O2 — CID 90642167

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

2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one (PubChem CID 90642167) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

• Compound Name: 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
• PubChem CID: 90642167
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
• SMILES: CCCC(CCC)C(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C20H29N5O2/c1-3-6-16(7-4-2)20(26)25-11-5-8-15(14-25)12-18-23-19(24-27-18)17-13-21-9-10-22-17/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3
• InChIKey: HXFMQMXOIVHODW-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?

The IUPAC name of 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one (CID 90642167) is 2-propyl-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 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?

The canonical SMILES for 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one is CCCC(CCC)C(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?

The InChIKey is HXFMQMXOIVHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-6-16(7-4-2)20(26)25-11-5-8-15(14-25)12-18-23-19(24-27-18)17-13-21-9-10-22-17/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3.

What are the key properties of 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one?

2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one has a molecular weight of 371.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90642167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).