2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one

C20H30N4O3 — CID 72905887

About 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one

2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one (PubChem CID 72905887) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

• Compound Name: 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one
• PubChem CID: 72905887
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one
• SMILES: CC(C)c1noc(C2CCN(C(=O)CN3CC4(CCCC4)CC3=O)CC2)n1
• InChI: InChI=1S/C20H30N4O3/c1-14(2)18-21-19(27-22-18)15-5-9-23(10-6-15)17(26)12-24-13-20(11-16(24)25)7-3-4-8-20/h14-15H,3-13H2,1-2H3
• InChIKey: SSMJNBOSBPZROP-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one?

The IUPAC name of 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one (CID 72905887) is 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one.

What is the SMILES notation for 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one?

The canonical SMILES for 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one is CC(C)c1noc(C2CCN(C(=O)CN3CC4(CCCC4)CC3=O)CC2)n1.

What is the InChIKey of 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one?

The InChIKey is SSMJNBOSBPZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(2)18-21-19(27-22-18)15-5-9-23(10-6-15)17(26)12-24-13-20(11-16(24)25)7-3-4-8-20/h14-15H,3-13H2,1-2H3.

What are the key properties of 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one?

2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one has a molecular weight of 374.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 72905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).