tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

C86H136N10O6 — CID 159788017

About tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 159788017) has the molecular formula C86H136N10O6 and a molecular weight of 1406.10 g/mol. Its IUPAC name is tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
• PubChem CID: 159788017
• Molecular Formula: C86H136N10O6
• Molecular Weight: 1406.10 g/mol
• Exact Mass: 1405.06
• IUPAC Name: tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
• SMILES: CC(=O)N[C@H]1CCC2(CCN(CC(C)(C)C)CC2)c2ccccc21.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CC(C)CCN1CCC2(CC1)C[C@H](NC(N)=O)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H33N3O3.C23H34N2O.C21H32N2O.C19H29N3O.4H2/c1-22(2,3)29-21(28)26-14-10-23(11-15-26)16-19(17-8-4-5-9-18(17)23)24-20(27)25-12-6-7-13-25;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-16(24)22-19-9-10-21(18-8-6-5-7-17(18)19)11-13-23(14-12-21)15-20(2,3)4;1-14(2)7-10-22-11-8-19(9-12-22)13-17(21-18(20)23)15-5-3-4-6-16(15)19;;;;/h4-5,8-9,19H,6-7,10-16H2,1-3H3,(H,24,27);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);5-8,19H,9-15H2,1-4H3,(H,22,24);3-6,14,17H,7-13H2,1-2H3,(H3,20,21,23);4*1H/t19-;21-;19-;17-;;;;/m0000..../s1
• InChIKey: NIEYYXHJHRJUPR-HRRAXRRLSA-N
• XLogP: 16.83
• TPSA: 184.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1406.10
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The IUPAC name of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (CID 159788017) is tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

What is the SMILES notation for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The canonical SMILES for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is CC(=O)N[C@H]1CCC2(CCN(CC(C)(C)C)CC2)c2ccccc21.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CC(C)CCN1CCC2(CC1)C[C@H](NC(N)=O)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The InChIKey is NIEYYXHJHRJUPR-HRRAXRRLSA-N. The full InChI is InChI=1S/C23H33N3O3.C23H34N2O.C21H32N2O.C19H29N3O.4H2/c1-22(2,3)29-21(28)26-14-10-23(11-15-26)16-19(17-8-4-5-9-18(17)23)24-20(27)25-12-6-7-13-25;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-16(24)22-19-9-10-21(18-8-6-5-7-17(18)19)11-13-23(14-12-21)15-20(2,3)4;1-14(2)7-10-22-11-8-19(9-12-22)13-17(21-18(20)23)15-5-3-4-6-16(15)19;;;;/h4-5,8-9,19H,6-7,10-16H2,1-3H3,(H,24,27);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);5-8,19H,9-15H2,1-4H3,(H,22,24);3-6,14,17H,7-13H2,1-2H3,(H3,20,21,23);4*1H/t19-;21-;19-;17-;;;;/m0000..../s1.

What are the key properties of tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 1406.10 g/mol, XLogP of 16.83, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1S)-1-(pyrrolidine-1-carbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 159788017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).