1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone

C17H21N3O3S — CID 95990830

About 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone

1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 95990830) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
• PubChem CID: 95990830
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
• SMILES: O=C(Cc1ccsc1)N1CCC[C@H](OCc2nc(C3CC3)no2)C1
• InChI: InChI=1S/C17H21N3O3S/c21-16(8-12-5-7-24-11-12)20-6-1-2-14(9-20)22-10-15-18-17(19-23-15)13-3-4-13/h5,7,11,13-14H,1-4,6,8-10H2/t14-/m0/s1
• InChIKey: QSNNWHYLJMSCLS-AWEZNQCLSA-N
• XLogP: 2.76
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?

The IUPAC name of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 95990830) is 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone.

What is the SMILES notation for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?

The canonical SMILES for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC[C@H](OCc2nc(C3CC3)no2)C1.

What is the InChIKey of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?

The InChIKey is QSNNWHYLJMSCLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-16(8-12-5-7-24-11-12)20-6-1-2-14(9-20)22-10-15-18-17(19-23-15)13-3-4-13/h5,7,11,13-14H,1-4,6,8-10H2/t14-/m0/s1.

What are the key properties of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone?

1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 347.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 95990830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).