N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide

C25H26F4N4O3 — CID 134568530

About N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide

N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide (PubChem CID 134568530) has the molecular formula C25H26F4N4O3 and a molecular weight of 506.50 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide
• PubChem CID: 134568530
• Molecular Formula: C25H26F4N4O3
• Molecular Weight: 506.50 g/mol
• Exact Mass: 506.19
• IUPAC Name: N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide
• SMILES: CCC(=O)N1CCC(C(=O)N(Cc2ccc(C3=NNC(C(F)(F)F)O3)cc2F)c2ccccc2)CC1
• InChI: InChI=1S/C25H26F4N4O3/c1-2-21(34)32-12-10-16(11-13-32)23(35)33(19-6-4-3-5-7-19)15-18-9-8-17(14-20(18)26)22-30-31-24(36-22)25(27,28)29/h3-9,14,16,24,31H,2,10-13,15H2,1H3
• InChIKey: GMAMSYFHLKHVTJ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.50
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide?

The IUPAC name of N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide (CID 134568530) is N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide.

What is the SMILES notation for N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide?

The canonical SMILES for N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)N(Cc2ccc(C3=NNC(C(F)(F)F)O3)cc2F)c2ccccc2)CC1.

What is the InChIKey of N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide?

The InChIKey is GMAMSYFHLKHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O3/c1-2-21(34)32-12-10-16(11-13-32)23(35)33(19-6-4-3-5-7-19)15-18-9-8-17(14-20(18)26)22-30-31-24(36-22)25(27,28)29/h3-9,14,16,24,31H,2,10-13,15H2,1H3.

What are the key properties of N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide?

N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide has a molecular weight of 506.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 134568530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).