ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

C77H116FN11O9 — CID 161331859

About ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 161331859) has the molecular formula C77H116FN11O9 and a molecular weight of 1358.84 g/mol. Its IUPAC name is ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
• PubChem CID: 161331859
• Molecular Formula: C77H116FN11O9
• Molecular Weight: 1358.84 g/mol
• Exact Mass: 1357.89
• IUPAC Name: ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
• SMILES: CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(CC)CC)c2ccccc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)CN(C2CCCCC2=O)c2ccc(F)cc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)C[C@H](NC(=O)N(CC)CC)c2ccccc23)CC1.[H][H]
• InChI: InChI=1S/C26H36FN3O3.C26H40N4O3.C25H38N4O3.H2/c1-2-33-25(32)29-13-9-20(10-14-29)28-15-11-26(12-16-28)18-30(23-5-3-4-6-24(23)31)22-8-7-19(27)17-21(22)26;1-4-28(5-2)24(31)27-23-19-26(22-10-8-7-9-21(22)23)13-17-29(18-14-26)20-11-15-30(16-12-20)25(32)33-6-3;1-4-26(5-2)23(30)29-19-25(21-9-7-8-10-22(21)29)13-17-27(18-14-25)20-11-15-28(16-12-20)24(31)32-6-3;/h7-8,17,20,23H,2-6,9-16,18H2,1H3;7-10,20,23H,4-6,11-19H2,1-3H3,(H,27,31);7-10,20H,4-6,11-19H2,1-3H3;1H/t;23-;;/m.0../s1
• InChIKey: VLNGEGMNTDPLOP-FYGZFEGNSA-N
• XLogP: 12.42
• TPSA: 174.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.84
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?

The IUPAC name of ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (CID 161331859) is ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.

What is the SMILES notation for ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?

The canonical SMILES for ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(CC)CC)c2ccccc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)CN(C2CCCCC2=O)c2ccc(F)cc23)CC1.CCOC(=O)N1CCC(N2CCC3(CC2)C[C@H](NC(=O)N(CC)CC)c2ccccc23)CC1.[H][H].

What is the InChIKey of ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?

The InChIKey is VLNGEGMNTDPLOP-FYGZFEGNSA-N. The full InChI is InChI=1S/C26H36FN3O3.C26H40N4O3.C25H38N4O3.H2/c1-2-33-25(32)29-13-9-20(10-14-29)28-15-11-26(12-16-28)18-30(23-5-3-4-6-24(23)31)22-8-7-19(27)17-21(22)26;1-4-28(5-2)24(31)27-23-19-26(22-10-8-7-9-21(22)23)13-17-29(18-14-26)20-11-15-30(16-12-20)25(32)33-6-3;1-4-26(5-2)23(30)29-19-25(21-9-7-8-10-22(21)29)13-17-27(18-14-25)20-11-15-28(16-12-20)24(31)32-6-3;/h7-8,17,20,23H,2-6,9-16,18H2,1H3;7-10,20,23H,4-6,11-19H2,1-3H3,(H,27,31);7-10,20H,4-6,11-19H2,1-3H3;1H/t;23-;;/m.0../s1.

What are the key properties of ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?

ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 1358.84 g/mol, XLogP of 12.42, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(1S)-1-(diethylcarbamoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[1-(diethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-(2-oxocyclohexyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 161331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).