acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C71H106N6O3 — CID 162085092

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

acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 162085092) has the molecular formula C71H106N6O3 and a molecular weight of 1091.67 g/mol. Its IUPAC name is acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 162085092
• Molecular Formula: C71H106N6O3
• Molecular Weight: 1091.67 g/mol
• Exact Mass: 1090.83
• IUPAC Name: acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)NC1CC2(CCN(CC3CC4C=CC3CC4)CC2)c2ccccc21.CC(=O)NC1CC2(CCN(C[C@H]3CC4CCC3CC4)CC2)c2ccccc21.CC=O.N[C@@H]1CC2(CCN([C@H]3CC4CCC3CC4)CC2)c2ccccc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H34N2O.C24H32N2O.C21H30N2.C2H4O.3H2/c2*1-17(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;22-19-14-21(18-4-2-1-3-17(18)19)9-11-23(12-10-21)20-13-15-5-7-16(20)8-6-15;1-2-3;;;/h2-5,18-20,23H,6-16H2,1H3,(H,25,27);2-6,8,18-20,23H,7,9-16H2,1H3,(H,25,27);1-4,15-16,19-20H,5-14,22H2;2H,1H3;3*1H/t18?,19?,20-,23?;;15?,16?,19-,20+;;;;/m1.1..../s1
• InChIKey: ZCVXQOUGDQXBPY-IEDXZQFNSA-N
• XLogP: 13.58
• TPSA: 111.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.67
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 162085092) is acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

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

The canonical SMILES for acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)NC1CC2(CCN(CC3CC4C=CC3CC4)CC2)c2ccccc21.CC(=O)NC1CC2(CCN(C[C@H]3CC4CCC3CC4)CC2)c2ccccc21.CC=O.N[C@@H]1CC2(CCN([C@H]3CC4CCC3CC4)CC2)c2ccccc21.[H][H].[H][H].[H][H].

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

The InChIKey is ZCVXQOUGDQXBPY-IEDXZQFNSA-N. The full InChI is InChI=1S/C24H34N2O.C24H32N2O.C21H30N2.C2H4O.3H2/c2*1-17(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;22-19-14-21(18-4-2-1-3-17(18)19)9-11-23(12-10-21)20-13-15-5-7-16(20)8-6-15;1-2-3;;;/h2-5,18-20,23H,6-16H2,1H3,(H,25,27);2-6,8,18-20,23H,7,9-16H2,1H3,(H,25,27);1-4,15-16,19-20H,5-14,22H2;2H,1H3;3*1H/t18?,19?,20-,23?;;15?,16?,19-,20+;;;;/m1.1..../s1.

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

acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1091.67 g/mol, XLogP of 13.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 162085092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).