tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C87H140N8O7S — CID 158405815

About tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 158405815) has the molecular formula C87H140N8O7S and a molecular weight of 1442.19 g/mol. Its IUPAC name is tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 158405815
• Molecular Formula: C87H140N8O7S
• Molecular Weight: 1442.19 g/mol
• Exact Mass: 1441.06
• IUPAC Name: tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)N[C@H]1CC2(CCN(CC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H36N2O.C21H30N2O3.C21H34N2O2S.C21H32N2O.4H2/c1-18(2)8-7-9-19(3)17-26-14-12-24(13-15-26)16-23(25-20(4)27)21-10-5-6-11-22(21)24;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;1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;;;;/h5-6,8,10-11,19,23H,7,9,12-17H2,1-4H3,(H,25,27);5-8,18H,9-14H2,1-4H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;4-7,16,20H,8-15H2,1-3H3,(H,22,24);4*1H/t19?,23-;18-;19-;20-;;;;/m0000..../s1
• InChIKey: GYRGYNUHQDXOLC-FYUXUSNMSA-N
• XLogP: 17.77
• TPSA: 172.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1442.19
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 158405815) is tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CC2(CCN(CC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is GYRGYNUHQDXOLC-FYUXUSNMSA-N. The full InChI is InChI=1S/C24H36N2O.C21H30N2O3.C21H34N2O2S.C21H32N2O.4H2/c1-18(2)8-7-9-19(3)17-26-14-12-24(13-15-26)16-23(25-20(4)27)21-10-5-6-11-22(21)24;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;1-20(2,3)11-14-23-15-12-21(13-16-23)10-9-19(22-26(4,24)25)17-7-5-6-8-18(17)21;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;;;;/h5-6,8,10-11,19,23H,7,9,12-17H2,1-4H3,(H,25,27);5-8,18H,9-14H2,1-4H3,(H,22,24);5-8,19,22H,9-16H2,1-4H3;4-7,16,20H,8-15H2,1-3H3,(H,22,24);4*1H/t19?,23-;18-;19-;20-;;;;/m0000..../s1.

What are the key properties of tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1442.19 g/mol, XLogP of 17.77, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).