4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide

C46H46F6N10O5 — CID 159266883

About 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide

4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 159266883) has the molecular formula C46H46F6N10O5 and a molecular weight of 932.93 g/mol. Its IUPAC name is 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
• PubChem CID: 159266883
• Molecular Formula: C46H46F6N10O5
• Molecular Weight: 932.93 g/mol
• Exact Mass: 932.36
• IUPAC Name: 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
• SMILES: CC(C)C(=O)N1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2)c2ccccc2)CC1.O=C(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
• InChI: InChI=1S/C25H26F3N5O3.C21H20F3N5O2/c1-17(2)22(34)31-12-14-32(15-13-31)24(35)33(20-6-4-3-5-7-20)16-18-8-10-19(11-9-18)21-29-30-23(36-21)25(26,27)28;22-21(23,24)19-27-26-18(31-19)16-8-6-15(7-9-16)14-29(17-4-2-1-3-5-17)20(30)28-12-10-25-11-13-28/h3-11,17H,12-16H2,1-2H3;1-9,25H,10-14H2
• InChIKey: KXFJWLJMBQHXAZ-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 157.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.93
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide (CID 159266883) is 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide.

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

The canonical SMILES for 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide is CC(C)C(=O)N1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2)c2ccccc2)CC1.O=C(N1CCNCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.

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

The InChIKey is KXFJWLJMBQHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3.C21H20F3N5O2/c1-17(2)22(34)31-12-14-32(15-13-31)24(35)33(20-6-4-3-5-7-20)16-18-8-10-19(11-9-18)21-29-30-23(36-21)25(26,27)28;22-21(23,24)19-27-26-18(31-19)16-8-6-15(7-9-16)14-29(17-4-2-1-3-5-17)20(30)28-12-10-25-11-13-28/h3-11,17H,12-16H2,1-2H3;1-9,25H,10-14H2.

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

4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 932.93 g/mol, XLogP of 8.47, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 159266883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).