tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C68H104N6O7 — CID 158838379

About tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 158838379) has the molecular formula C68H104N6O7 and a molecular weight of 1117.61 g/mol. Its IUPAC name is tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 158838379
• Molecular Formula: C68H104N6O7
• Molecular Weight: 1117.61 g/mol
• Exact Mass: 1116.80
• IUPAC Name: tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)N[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc12.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H38N2O.C22H30N2O3.C21H30N2O3.3H2/c1-19(2)8-7-9-20(3)12-15-27-16-13-25(14-17-27)18-24(26-21(4)28)22-10-5-6-11-23(22)25;1-21(2,3)27-20(26)24-12-10-22(11-13-24)14-18(23-19(25)15-8-9-15)16-6-4-5-7-17(16)22;1-15(24)22-18-9-10-21(17-8-6-5-7-16(17)18)11-13-23(14-12-21)19(25)26-20(2,3)4;;;/h5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-7,15,18H,8-14H2,1-3H3,(H,23,25);5-8,18H,9-14H2,1-4H3,(H,22,24);3*1H/t20?,24-;2*18-;;;/m001.../s1
• InChIKey: IXXQXWLHDOLDDG-SSTDATBRSA-N
• XLogP: 13.96
• TPSA: 149.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.61
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 158838379) is tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc12.[H][H].[H][H].[H][H].

What is the InChIKey of tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is IXXQXWLHDOLDDG-SSTDATBRSA-N. The full InChI is InChI=1S/C25H38N2O.C22H30N2O3.C21H30N2O3.3H2/c1-19(2)8-7-9-20(3)12-15-27-16-13-25(14-17-27)18-24(26-21(4)28)22-10-5-6-11-23(22)25;1-21(2,3)27-20(26)24-12-10-22(11-13-24)14-18(23-19(25)15-8-9-15)16-6-4-5-7-17(16)22;1-15(24)22-18-9-10-21(17-8-6-5-7-16(17)18)11-13-23(14-12-21)19(25)26-20(2,3)4;;;/h5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-7,15,18H,8-14H2,1-3H3,(H,23,25);5-8,18H,9-14H2,1-4H3,(H,22,24);3*1H/t20?,24-;2*18-;;;/m001.../s1.

What are the key properties of tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1117.61 g/mol, XLogP of 13.96, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1R)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-(cyclopropanecarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158838379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).