2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C89H138N8O6 — CID 159536735

About 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 159536735) has the molecular formula C89H138N8O6 and a molecular weight of 1416.13 g/mol. Its IUPAC name is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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: 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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: 159536735
• Molecular Formula: C89H138N8O6
• Molecular Weight: 1416.13 g/mol
• Exact Mass: 1415.07
• IUPAC Name: 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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(=O)O)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H40N2O.C25H38N2O.C21H32N2O.C17H22N2O3.3H2/c1-20(2)8-7-9-21(3)13-17-28-18-15-26(16-19-28)14-12-25(27-22(4)29)23-10-5-6-11-24(23)26;1-19(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;1-16(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;1-12(20)18-15-10-17(14-5-3-2-4-13(14)15)6-8-19(9-7-17)11-16(21)22;;;/h5-6,8,10-11,21,25H,7,9,12-19H2,1-4H3,(H,27,29);5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-7,16,20H,8-15H2,1-3H3,(H,22,24);2-5,15H,6-11H2,1H3,(H,18,20)(H,21,22);3*1H/t21?,25-;20?,24-;20-;15-;;;/m0000.../s1
• InChIKey: MDRNRVBJLVWGLE-ZPUJKOFHSA-N
• XLogP: 17.60
• TPSA: 166.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1416.13
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 159536735) is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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(=O)O)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)CCC=C(C)C)CC2)c2ccccc21.[H][H].[H][H].[H][H].

What is the InChIKey of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 MDRNRVBJLVWGLE-ZPUJKOFHSA-N. The full InChI is InChI=1S/C26H40N2O.C25H38N2O.C21H32N2O.C17H22N2O3.3H2/c1-20(2)8-7-9-21(3)13-17-28-18-15-26(16-19-28)14-12-25(27-22(4)29)23-10-5-6-11-24(23)26;1-19(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;1-16(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;1-12(20)18-15-10-17(14-5-3-2-4-13(14)15)6-8-19(9-7-17)11-16(21)22;;;/h5-6,8,10-11,21,25H,7,9,12-19H2,1-4H3,(H,27,29);5-6,8,10-11,20,24H,7,9,12-18H2,1-4H3,(H,26,28);4-7,16,20H,8-15H2,1-3H3,(H,22,24);2-5,15H,6-11H2,1H3,(H,18,20)(H,21,22);3*1H/t21?,25-;20?,24-;20-;15-;;;/m0000.../s1.

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

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 1416.13 g/mol, XLogP of 17.60, 21 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,7-dimethyloct-6-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-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 159536735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).