1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C68H91F5N12O7S — CID 157352592

About 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 157352592) has the molecular formula C68H91F5N12O7S and a molecular weight of 1315.61 g/mol. Its IUPAC name is 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
• PubChem CID: 157352592
• Molecular Formula: C68H91F5N12O7S
• Molecular Weight: 1315.61 g/mol
• Exact Mass: 1314.68
• IUPAC Name: 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
• SMILES: CC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)CN(c2nccs2)c2ccc(F)cc23)CC1.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)OCC(F)F)CC3)CC2)c2cc(F)ccc21
• InChI: InChI=1S/C23H31F3N4O3.C23H29FN4O2S.C22H31FN4O2/c1-27(2)21(31)30-15-23(18-13-16(24)3-4-19(18)30)7-11-28(12-8-23)17-5-9-29(10-6-17)22(32)33-14-20(25)26;1-2-30-22(29)27-10-5-18(6-11-27)26-12-7-23(8-13-26)16-28(21-25-9-14-31-21)20-4-3-17(24)15-19(20)23;1-16(28)25-10-6-18(7-11-25)26-12-8-22(9-13-26)15-27(21(29)24(2)3)20-5-4-17(23)14-19(20)22/h3-4,13,17,20H,5-12,14-15H2,1-2H3;3-4,9,14-15,18H,2,5-8,10-13,16H2,1H3;4-5,14,18H,6-13,15H2,1-3H3
• InChIKey: BHSCKDBXSNWGNW-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 152.34 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.61
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?

The IUPAC name of 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 157352592) is 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

What is the SMILES notation for 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?

The canonical SMILES for 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)CN(c2nccs2)c2ccc(F)cc23)CC1.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)OCC(F)F)CC3)CC2)c2cc(F)ccc21.

What is the InChIKey of 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?

The InChIKey is BHSCKDBXSNWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O3.C23H29FN4O2S.C22H31FN4O2/c1-27(2)21(31)30-15-23(18-13-16(24)3-4-19(18)30)7-11-28(12-8-23)17-5-9-29(10-6-17)22(32)33-14-20(25)26;1-2-30-22(29)27-10-5-18(6-11-27)26-12-7-23(8-13-26)16-28(21-25-9-14-31-21)20-4-3-17(24)15-19(20)23;1-16(28)25-10-6-18(7-11-25)26-12-8-22(9-13-26)15-27(21(29)24(2)3)20-5-4-17(23)14-19(20)22/h3-4,13,17,20H,5-12,14-15H2,1-2H3;3-4,9,14-15,18H,2,5-8,10-13,16H2,1H3;4-5,14,18H,6-13,15H2,1-3H3.

What are the key properties of 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?

1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 1315.61 g/mol, XLogP of 10.59, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(1-acetylpiperidin-4-yl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;2,2-difluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(1,3-thiazol-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157352592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).