N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide

C55H49F8N9O5 — CID 158551733

About N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide

N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide (PubChem CID 158551733) has the molecular formula C55H49F8N9O5 and a molecular weight of 1068.04 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
• PubChem CID: 158551733
• Molecular Formula: C55H49F8N9O5
• Molecular Weight: 1068.04 g/mol
• Exact Mass: 1067.37
• IUPAC Name: N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
• SMILES: O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(-c3cccnc3)cc2)c(F)c1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccc(-c2cccnc2)cc1
• InChI: InChI=1S/C28H26F4N4O3.C27H23F4N5O2/c29-24-15-20(25(37)17-34-26(38)28(30,31)32)6-7-22(24)18-36(27(39)35-13-2-1-3-14-35)23-10-8-19(9-11-23)21-5-4-12-33-16-21;28-23-15-19(24-33-34-25(38-24)27(29,30)31)6-7-21(23)17-36(26(37)35-13-2-1-3-14-35)22-10-8-18(9-11-22)20-5-4-12-32-16-20/h4-12,15-16H,1-3,13-14,17-18H2,(H,34,38);4-12,15-16H,1-3,13-14,17H2
• InChIKey: HPUMGNNKQQPUHG-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 157.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.04
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide?

The IUPAC name of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide (CID 158551733) is N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide.

What is the SMILES notation for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide?

The canonical SMILES for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide is O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(-c3cccnc3)cc2)c(F)c1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccc(-c2cccnc2)cc1.

What is the InChIKey of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide?

The InChIKey is HPUMGNNKQQPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O3.C27H23F4N5O2/c29-24-15-20(25(37)17-34-26(38)28(30,31)32)6-7-22(24)18-36(27(39)35-13-2-1-3-14-35)23-10-8-19(9-11-23)21-5-4-12-33-16-21;28-23-15-19(24-33-34-25(38-24)27(29,30)31)6-7-21(23)17-36(26(37)35-13-2-1-3-14-35)22-10-8-18(9-11-22)20-5-4-12-32-16-20/h4-12,15-16H,1-3,13-14,17-18H2,(H,34,38);4-12,15-16H,1-3,13-14,17H2.

What are the key properties of N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide?

N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide has a molecular weight of 1068.04 g/mol, XLogP of 11.93, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 158551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).