cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone

C28H33N3O2 — CID 58002320

About cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone

cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone (PubChem CID 58002320) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone
• PubChem CID: 58002320
• Molecular Formula: C28H33N3O2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.26
• IUPAC Name: cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone
• SMILES: CC(C)c1ccc(C2CC(c3nc(-c4ccccc4)no3)CN(C(=O)C3CCCC3)C2)cc1
• InChI: InChI=1S/C28H33N3O2/c1-19(2)20-12-14-21(15-13-20)24-16-25(18-31(17-24)28(32)23-10-6-7-11-23)27-29-26(30-33-27)22-8-4-3-5-9-22/h3-5,8-9,12-15,19,23-25H,6-7,10-11,16-18H2,1-2H3
• InChIKey: MFIKACMQEOXAEQ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone?

The IUPAC name of cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone (CID 58002320) is cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone.

What is the SMILES notation for cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone?

The canonical SMILES for cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone is CC(C)c1ccc(C2CC(c3nc(-c4ccccc4)no3)CN(C(=O)C3CCCC3)C2)cc1.

What is the InChIKey of cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone?

The InChIKey is MFIKACMQEOXAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-19(2)20-12-14-21(15-13-20)24-16-25(18-31(17-24)28(32)23-10-6-7-11-23)27-29-26(30-33-27)22-8-4-3-5-9-22/h3-5,8-9,12-15,19,23-25H,6-7,10-11,16-18H2,1-2H3.

What are the key properties of cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone?

cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone has a molecular weight of 443.59 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58002320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).