1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C74H98F3N17O3S — CID 157099584

About 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 157099584) has the molecular formula C74H98F3N17O3S and a molecular weight of 1362.77 g/mol. Its IUPAC name is 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

• Compound Name: 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
• PubChem CID: 157099584
• Molecular Formula: C74H98F3N17O3S
• Molecular Weight: 1362.77 g/mol
• Exact Mass: 1361.77
• IUPAC Name: 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
• SMILES: CC(=O)N1CC2(CCN(C3CCN(c4nc(C)ns4)CC3)CC2)c2cc(F)ccc21.CCc1nccnc1N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.Cc1cnc(C)c(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccc(F)cc34)CC2)n1
• InChI: InChI=1S/2C26H35FN6O.C22H28FN5OS/c1-18-16-28-19(2)24(29-18)32-11-7-21(8-12-32)31-13-9-26(10-14-31)17-33(25(34)30(3)4)23-6-5-20(27)15-22(23)26;1-4-22-24(29-12-11-28-22)32-13-7-20(8-14-32)31-15-9-26(10-16-31)18-33(25(34)30(2)3)23-6-5-19(27)17-21(23)26;1-15-24-21(30-25-15)27-9-5-18(6-10-27)26-11-7-22(8-12-26)14-28(16(2)29)20-4-3-17(23)13-19(20)22/h5-6,15-16,21H,7-14,17H2,1-4H3;5-6,11-12,17,20H,4,7-10,13-16,18H2,1-3H3;3-4,13,18H,5-12,14H2,1-2H3
• InChIKey: AFPNINGACAOKLL-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 164.19 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.77
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The IUPAC name of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 157099584) is 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

What is the SMILES notation for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The canonical SMILES for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(C3CCN(c4nc(C)ns4)CC3)CC2)c2cc(F)ccc21.CCc1nccnc1N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.Cc1cnc(C)c(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccc(F)cc34)CC2)n1.

What is the InChIKey of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The InChIKey is AFPNINGACAOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H35FN6O.C22H28FN5OS/c1-18-16-28-19(2)24(29-18)32-11-7-21(8-12-32)31-13-9-26(10-14-31)17-33(25(34)30(3)4)23-6-5-20(27)15-22(23)26;1-4-22-24(29-12-11-28-22)32-13-7-20(8-14-32)31-15-9-26(10-16-31)18-33(25(34)30(2)3)23-6-5-19(27)17-21(23)26;1-15-24-21(30-25-15)27-9-5-18(6-10-27)26-11-7-22(8-12-26)14-28(16(2)29)20-4-3-17(23)13-19(20)22/h5-6,15-16,21H,7-14,17H2,1-4H3;5-6,11-12,17,20H,4,7-10,13-16,18H2,1-3H3;3-4,13,18H,5-12,14H2,1-2H3.

What are the key properties of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 1362.77 g/mol, XLogP of 10.77, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 157099584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).