N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen

C69H103N7O5 — CID 157064063

About N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen

N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 157064063) has the molecular formula C69H103N7O5 and a molecular weight of 1110.63 g/mol. Its IUPAC name is N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen
• PubChem CID: 157064063
• Molecular Formula: C69H103N7O5
• Molecular Weight: 1110.63 g/mol
• Exact Mass: 1109.80
• IUPAC Name: N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen
• SMILES: CC(=O)NC1CC2(CCN(CC3CC4C=CC3CC4)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC3CCCCC3)CC2)c2ccccc21.COC(=O)N1CCC(CN2CCC3(CC2)C[C@H](NC(C)=O)c2ccccc23)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H32N2O.C23H33N3O3.C22H32N2O.3H2/c1-17(27)25-23-15-24(22-5-3-2-4-21(22)23)10-12-26(13-11-24)16-20-14-18-6-8-19(20)9-7-18;1-17(27)24-21-15-23(20-6-4-3-5-19(20)21)9-13-25(14-10-23)16-18-7-11-26(12-8-18)22(28)29-2;1-17(25)23-21-15-22(20-10-6-5-9-19(20)21)11-13-24(14-12-22)16-18-7-3-2-4-8-18;;;/h2-6,8,18-20,23H,7,9-16H2,1H3,(H,25,27);3-6,18,21H,7-16H2,1-2H3,(H,24,27);5-6,9-10,18,21H,2-4,7-8,11-16H2,1H3,(H,23,25);3*1H/t;2*21-;;;/m.00.../s1
• InChIKey: ABQYKODSWJBZFJ-FCCAVQJRSA-N
• XLogP: 12.20
• TPSA: 126.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.63
LogP ≤ 5	12.20
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 N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen?

The IUPAC name of N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen (CID 157064063) is N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen.

What is the SMILES notation for N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen?

The canonical SMILES for N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen is CC(=O)NC1CC2(CCN(CC3CC4C=CC3CC4)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC3CCCCC3)CC2)c2ccccc21.COC(=O)N1CCC(CN2CCC3(CC2)C[C@H](NC(C)=O)c2ccccc23)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen?

The InChIKey is ABQYKODSWJBZFJ-FCCAVQJRSA-N. The full InChI is InChI=1S/C24H32N2O.C23H33N3O3.C22H32N2O.3H2/c1-17(27)25-23-15-24(22-5-3-2-4-21(22)23)10-12-26(13-11-24)16-20-14-18-6-8-19(20)9-7-18;1-17(27)24-21-15-23(20-6-4-3-5-19(20)21)9-13-25(14-10-23)16-18-7-11-26(12-8-18)22(28)29-2;1-17(25)23-21-15-22(20-10-6-5-9-19(20)21)11-13-24(14-12-22)16-18-7-3-2-4-8-18;;;/h2-6,8,18-20,23H,7,9-16H2,1H3,(H,25,27);3-6,18,21H,7-16H2,1-2H3,(H,24,27);5-6,9-10,18,21H,2-4,7-8,11-16H2,1H3,(H,23,25);3*1H/t;2*21-;;;/m.00.../s1.

What are the key properties of N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen?

N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 1110.63 g/mol, XLogP of 12.20, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;methyl 4-[[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 157064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).