3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

C19H25N3O2S — CID 51895983

About 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 51895983) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 51895983
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
• SMILES: O=C(CCC1CCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1
• InChI: InChI=1S/C19H25N3O2S/c23-17(10-9-14-5-1-2-6-14)22-11-3-7-15(13-22)18-20-21-19(24-18)16-8-4-12-25-16/h4,8,12,14-15H,1-3,5-7,9-11,13H2/t15-/m0/s1
• InChIKey: DINRFCRXDOVDHY-HNNXBMFYSA-N
• XLogP: 4.47
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 51895983) is 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1.

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

The InChIKey is DINRFCRXDOVDHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-17(10-9-14-5-1-2-6-14)22-11-3-7-15(13-22)18-20-21-19(24-18)16-8-4-12-25-16/h4,8,12,14-15H,1-3,5-7,9-11,13H2/t15-/m0/s1.

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

3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 359.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51895983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).