N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide

C25H34F2N4O3 — CID 58354841

About N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide

N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (PubChem CID 58354841) has the molecular formula C25H34F2N4O3 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• PubChem CID: 58354841
• Molecular Formula: C25H34F2N4O3
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.26
• IUPAC Name: N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• SMILES: Cc1cc(OCCCC2CCN(c3noc(C(C)(F)F)n3)CC2)ccc1C(=O)NC1CCCC1
• InChI: InChI=1S/C25H34F2N4O3/c1-17-16-20(9-10-21(17)22(32)28-19-7-3-4-8-19)33-15-5-6-18-11-13-31(14-12-18)24-29-23(34-30-24)25(2,26)27/h9-10,16,18-19H,3-8,11-15H2,1-2H3,(H,28,32)
• InChIKey: WZJXEHSCQYYHCZ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The IUPAC name of N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (CID 58354841) is N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

What is the SMILES notation for N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The canonical SMILES for N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide is Cc1cc(OCCCC2CCN(c3noc(C(C)(F)F)n3)CC2)ccc1C(=O)NC1CCCC1.

What is the InChIKey of N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The InChIKey is WZJXEHSCQYYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O3/c1-17-16-20(9-10-21(17)22(32)28-19-7-3-4-8-19)33-15-5-6-18-11-13-31(14-12-18)24-29-23(34-30-24)25(2,26)27/h9-10,16,18-19H,3-8,11-15H2,1-2H3,(H,28,32).

What are the key properties of N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide has a molecular weight of 476.57 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide is sourced from PubChem (CID 58354841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).