N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C70H103N7O6S — CID 161292380

About N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 161292380) has the molecular formula C70H103N7O6S and a molecular weight of 1170.70 g/mol. Its IUPAC name is N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 161292380
• Molecular Formula: C70H103N7O6S
• Molecular Weight: 1170.70 g/mol
• Exact Mass: 1169.77
• IUPAC Name: N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)N[C@H]1CC2(CCN(C3CCC[C@@H](C)C3)CC2)c2ccccc21.CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)C[C@H](NC(C)=O)c1ccccc13)C2.CN([C@H]1CC2(CCN(C[C@H]3C[C@H]4CCC3C4)CC2)c2ccccc21)S(C)(=O)=O.[H][H]
• InChI: InChI=1S/C25H35N3O3.C23H34N2O2S.C22H32N2O.H2/c1-3-31-24(30)28-18-8-9-19(28)15-20(14-18)27-12-10-25(11-13-27)16-23(26-17(2)29)21-6-4-5-7-22(21)25;1-24(28(2,26)27)22-15-23(21-6-4-3-5-20(21)22)9-11-25(12-10-23)16-19-14-17-7-8-18(19)13-17;1-16-6-5-7-18(14-16)24-12-10-22(11-13-24)15-21(23-17(2)25)19-8-3-4-9-20(19)22;/h4-7,18-20,23H,3,8-16H2,1-2H3,(H,26,29);3-6,17-19,22H,7-16H2,1-2H3;3-4,8-9,16,18,21H,5-7,10-15H2,1-2H3,(H,23,25);1H/t18?,19?,20?,23-;17-,18?,19+,22-;16-,18?,21+;/m001./s1
• InChIKey: VGNHJAHFJOIUKY-UYJUXQKUSA-N
• XLogP: 11.97
• TPSA: 134.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.70
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 161292380) is N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CC2(CCN(C3CCC[C@@H](C)C3)CC2)c2ccccc21.CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)C[C@H](NC(C)=O)c1ccccc13)C2.CN([C@H]1CC2(CCN(C[C@H]3C[C@H]4CCC3C4)CC2)c2ccccc21)S(C)(=O)=O.[H][H].

What is the InChIKey of N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is VGNHJAHFJOIUKY-UYJUXQKUSA-N. The full InChI is InChI=1S/C25H35N3O3.C23H34N2O2S.C22H32N2O.H2/c1-3-31-24(30)28-18-8-9-19(28)15-20(14-18)27-12-10-25(11-13-27)16-23(26-17(2)29)21-6-4-5-7-22(21)25;1-24(28(2,26)27)22-15-23(21-6-4-3-5-20(21)22)9-11-25(12-10-23)16-19-14-17-7-8-18(19)13-17;1-16-6-5-7-18(14-16)24-12-10-22(11-13-24)15-21(23-17(2)25)19-8-3-4-9-20(19)22;/h4-7,18-20,23H,3,8-16H2,1-2H3,(H,26,29);3-6,17-19,22H,7-16H2,1-2H3;3-4,8-9,16,18,21H,5-7,10-15H2,1-2H3,(H,23,25);1H/t18?,19?,20?,23-;17-,18?,19+,22-;16-,18?,21+;/m001./s1.

What are the key properties of N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1170.70 g/mol, XLogP of 11.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 161292380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).