[1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C23H24ClN3O2S — CID 121068853

About [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121068853) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 121068853
• Molecular Formula: C23H24ClN3O2S
• Molecular Weight: 441.98 g/mol
• Exact Mass: 441.13
• IUPAC Name: [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(N1CCCC(c2nnc(-c3cccs3)o2)C1)C1(c2ccc(Cl)cc2)CCCC1
• InChI: InChI=1S/C23H24ClN3O2S/c24-18-9-7-17(8-10-18)23(11-1-2-12-23)22(28)27-13-3-5-16(15-27)20-25-26-21(29-20)19-6-4-14-30-19/h4,6-10,14,16H,1-3,5,11-13,15H2
• InChIKey: KMCGLXUIEYRMCF-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.98
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121068853) is [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(N1CCCC(c2nnc(-c3cccs3)o2)C1)C1(c2ccc(Cl)cc2)CCCC1.

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

The InChIKey is KMCGLXUIEYRMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c24-18-9-7-17(8-10-18)23(11-1-2-12-23)22(28)27-13-3-5-16(15-27)20-25-26-21(29-20)19-6-4-14-30-19/h4,6-10,14,16H,1-3,5,11-13,15H2.

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

[1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 441.98 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121068853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).