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

C45H41F10N7O5 — CID 159584157

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

N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 159584157) has the molecular formula C45H41F10N7O5 and a molecular weight of 949.85 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
• PubChem CID: 159584157
• Molecular Formula: C45H41F10N7O5
• Molecular Weight: 949.85 g/mol
• Exact Mass: 949.30
• IUPAC Name: N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
• SMILES: O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)cc2F)cc1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccc(F)cc1F
• InChI: InChI=1S/C23H22F5N3O3.C22H19F5N4O2/c24-17-8-9-19(18(25)12-17)31(22(34)30-10-2-1-3-11-30)14-15-4-6-16(7-5-15)20(32)13-29-21(33)23(26,27)28;23-16-8-9-18(17(24)12-16)31(21(32)30-10-2-1-3-11-30)13-14-4-6-15(7-5-14)19-28-29-20(33-19)22(25,26)27/h4-9,12H,1-3,10-11,13-14H2,(H,29,33);4-9,12H,1-3,10-11,13H2
• InChIKey: MJKAETUFWKXOLZ-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 132.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.85
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide (CID 159584157) is N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide is O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)cc2F)cc1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccc(F)cc1F.

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

The InChIKey is MJKAETUFWKXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O3.C22H19F5N4O2/c24-17-8-9-19(18(25)12-17)31(22(34)30-10-2-1-3-11-30)14-15-4-6-16(7-5-15)20(32)13-29-21(33)23(26,27)28;23-16-8-9-18(17(24)12-16)31(21(32)30-10-2-1-3-11-30)13-14-4-6-15(7-5-14)19-28-29-20(33-19)22(25,26)27/h4-9,12H,1-3,10-11,13-14H2,(H,29,33);4-9,12H,1-3,10-11,13H2.

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

N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 949.85 g/mol, XLogP of 10.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(2,4-difluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 159584157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).