5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C70H91F2N13O5S — CID 158973026

About 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 158973026) has the molecular formula C70H91F2N13O5S and a molecular weight of 1264.65 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

• Compound Name: 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
• PubChem CID: 158973026
• Molecular Formula: C70H91F2N13O5S
• Molecular Weight: 1264.65 g/mol
• Exact Mass: 1263.70
• IUPAC Name: 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
• SMILES: CC(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2ccccc21.CC(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c2cc(F)ccc21
• InChI: InChI=1S/C25H35FN4O3.C23H29N5O.C22H27FN4OS/c1-27(2)24(32)30-17-25(20-16-18(26)5-6-21(20)30)9-13-28(14-10-25)19-7-11-29(12-8-19)23(31)22-4-3-15-33-22;1-18(29)28-17-23(20-4-2-3-5-21(20)28)8-14-26(15-9-23)19-6-12-27(13-7-19)22-16-24-10-11-25-22;1-16(28)27-15-22(19-14-17(23)2-3-20(19)27)6-11-25(12-7-22)18-4-9-26(10-5-18)21-24-8-13-29-21/h5-6,16,19,22H,3-4,7-15,17H2,1-2H3;2-5,10-11,16,19H,6-9,12-15,17H2,1H3;2-3,8,13-14,18H,4-7,9-12,15H2,1H3/t22-;;/m0../s1
• InChIKey: JOBAKJXVWBLOQI-IKXQUJFKSA-N
• XLogP: 9.33
• TPSA: 148.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1264.65
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 158973026) is 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2ccccc21.CC(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c2cc(F)ccc21.

What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

The InChIKey is JOBAKJXVWBLOQI-IKXQUJFKSA-N. The full InChI is InChI=1S/C25H35FN4O3.C23H29N5O.C22H27FN4OS/c1-27(2)24(32)30-17-25(20-16-18(26)5-6-21(20)30)9-13-28(14-10-25)19-7-11-29(12-8-19)23(31)22-4-3-15-33-22;1-18(29)28-17-23(20-4-2-3-5-21(20)28)8-14-26(15-9-23)19-6-12-27(13-7-19)22-16-24-10-11-25-22;1-16(28)27-15-22(19-14-17(23)2-3-20(19)27)6-11-25(12-7-22)18-4-9-26(10-5-18)21-24-8-13-29-21/h5-6,16,19,22H,3-4,7-15,17H2,1-2H3;2-5,10-11,16,19H,6-9,12-15,17H2,1H3;2-3,8,13-14,18H,4-7,9-12,15H2,1H3/t22-;;/m0../s1.

What are the key properties of 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?

5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 1264.65 g/mol, XLogP of 9.33, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N,N-dimethyl-1'-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide;1-[5-fluoro-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 158973026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).