1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one

C20H26N4O3 — CID 120862036

About 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 120862036) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

• Compound Name: 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
• PubChem CID: 120862036
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
• SMILES: NC1(c2noc(C3CCCN(C(=O)CCOc4ccccc4)C3)n2)CCC1
• InChI: InChI=1S/C20H26N4O3/c21-20(10-5-11-20)19-22-18(27-23-19)15-6-4-12-24(14-15)17(25)9-13-26-16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14,21H2
• InChIKey: WTWRXLLBUQCLEV-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 94.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one?

The IUPAC name of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one (CID 120862036) is 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one.

What is the SMILES notation for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one?

The canonical SMILES for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one is NC1(c2noc(C3CCCN(C(=O)CCOc4ccccc4)C3)n2)CCC1.

What is the InChIKey of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one?

The InChIKey is WTWRXLLBUQCLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-20(10-5-11-20)19-22-18(27-23-19)15-6-4-12-24(14-15)17(25)9-13-26-16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14,21H2.

What are the key properties of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one?

1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 120862036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).