N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one

C98H127F9N20O6S — CID 158936640

About N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one

N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one (PubChem CID 158936640) has the molecular formula C98H127F9N20O6S and a molecular weight of 1884.28 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one.

Molecular Properties

• Compound Name: N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one
• PubChem CID: 158936640
• Molecular Formula: C98H127F9N20O6S
• Molecular Weight: 1884.28 g/mol
• Exact Mass: 1882.98
• IUPAC Name: N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one
• SMILES: CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@H](C)C2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nc(N2CCN(C)C(C(F)(F)F)C2)n[nH]1)Cc1c[nH]c2ccccc12.CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nnc(N2CCN(C)C(C(F)(F)F)C2)s1
• InChI: InChI=1S/C26H36N4O2.C25H31F3N4O2.C24H31F3N6O.C23H29F3N6OS/c1-5-6-9-20(12-21-14-27-23-11-8-7-10-22(21)23)13-24(31)25-15-28-26(32-25)30-16-18(2)29(4)19(3)17-30;1-3-4-7-17(12-18-14-29-20-9-6-5-8-19(18)20)13-21(33)22-15-30-24(34-22)32-11-10-31(2)23(16-32)25(26,27)28;1-3-4-7-16(12-17-14-28-19-9-6-5-8-18(17)19)13-20(34)22-29-23(31-30-22)33-11-10-32(2)21(15-33)24(25,26)27;1-3-4-7-16(12-15-13-27-18-9-6-5-8-17(15)18)28-20(33)21-29-30-22(34-21)32-11-10-31(2)19(14-32)23(24,25)26/h7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,23,29H,3-4,7,10-13,16H2,1-2H3;5-6,8-9,14,16,21,28H,3-4,7,10-13,15H2,1-2H3,(H,29,30,31);5-6,8-9,13,16,19,27H,3-4,7,10-12,14H2,1-2H3,(H,28,33)/t18-,19-,20?;;;/m1.../s1
• InChIKey: JJSPVADZMJBKPP-XCOSCPJRSA-N
• XLogP: 19.59
• TPSA: 288.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.28
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one?

The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one (CID 158936640) is N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one.

What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one?

The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2C[C@@H](C)N(C)[C@H](C)C2)o1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nc(N2CCN(C)C(C(F)(F)F)C2)n[nH]1)Cc1c[nH]c2ccccc12.CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nnc(N2CCN(C)C(C(F)(F)F)C2)s1.

What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one?

The InChIKey is JJSPVADZMJBKPP-XCOSCPJRSA-N. The full InChI is InChI=1S/C26H36N4O2.C25H31F3N4O2.C24H31F3N6O.C23H29F3N6OS/c1-5-6-9-20(12-21-14-27-23-11-8-7-10-22(21)23)13-24(31)25-15-28-26(32-25)30-16-18(2)29(4)19(3)17-30;1-3-4-7-17(12-18-14-29-20-9-6-5-8-19(18)20)13-21(33)22-15-30-24(34-22)32-11-10-31(2)23(16-32)25(26,27)28;1-3-4-7-16(12-17-14-28-19-9-6-5-8-18(17)19)13-20(34)22-29-23(31-30-22)33-11-10-32(2)21(15-33)24(25,26)27;1-3-4-7-16(12-15-13-27-18-9-6-5-8-17(15)18)28-20(33)21-29-30-22(34-21)32-11-10-31(2)19(14-32)23(24,25)26/h7-8,10-11,14-15,18-20,27H,5-6,9,12-13,16-17H2,1-4H3;5-6,8-9,14-15,17,23,29H,3-4,7,10-13,16H2,1-2H3;5-6,8-9,14,16,21,28H,3-4,7,10-13,15H2,1-2H3,(H,29,30,31);5-6,8-9,13,16,19,27H,3-4,7,10-12,14H2,1-2H3,(H,28,33)/t18-,19-,20?;;;/m1.../s1.

What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one?

N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one has a molecular weight of 1884.28 g/mol, XLogP of 19.59, 35 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one is sourced from PubChem (CID 158936640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).