2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone

C210H290F2N8O10 — CID 158704968

IUPAC2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone
SMILESCCC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2.O=C(C[C@H]1CN2CCC1CC2)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C28H39NO2.C28H39NO.C27H37NO.C26H34FNO.C26H37NO2.C26H37NO.C25H35NO.C24H32FNO/c1-2-31-20-26-13-21-14-27(17-26,24-6-4-3-5-7-24)19-28(15-21,18-26)25(30)12-23-16-29-10-8-22(23)9-11-29;1-2-10-26-14-21-15-27(18-26,24-6-4-3-5-7-24)20-28(16-21,19-26)25(30)13-23-17-29-11-8-22(23)9-12-29;1-2-25-13-20-14-26(17-25,23-6-4-3-5-7-23)19-27(15-20,18-25)24(29)12-22-16-28-10-8-21(22)9-11-28;27-18-24-11-19-12-25(15-24,22-4-2-1-3-5-22)17-26(13-19,16-24)23(29)10-21-14-28-8-6-20(21)7-9-28;1-2-29-19-24-13-21-14-25(16-24,22-6-4-3-5-7-22)18-26(15-21,17-24)23(28)12-20-8-10-27-11-9-20;1-2-10-24-14-21-15-25(17-24,22-6-4-3-5-7-22)19-26(16-21,18-24)23(28)13-20-8-11-27-12-9-20;1-2-23-13-20-14-24(16-23,21-6-4-3-5-7-21)18-25(15-20,17-23)22(27)12-19-8-10-26-11-9-19;25-17-22-11-19-12-23(14-22,20-4-2-1-3-5-20)16-24(13-19,15-22)21(27)10-18-6-8-26-9-7-18/h3-7,21-23H,2,8-20H2,1H3;3-7,21-23H,2,8-20H2,1H3;3-7,20-22H,2,8-19H2,1H3;1-5,19-21H,6-18H2;3-7,20-21,27H,2,8-19H2,1H3;3-7,20-21,27H,2,8-19H2,1H3;3-7,19-20,26H,2,8-18H2,1H3;1-5,18-19,26H,6-17H2/t21?,23-,26-,27+,28?;21?,23-,26+,27+,28?;20?,22-,25+,26+,27?;19?,21-,24-,25+,26?;21?,24-,25+,26?;21?,24-,25-,26?;20?,23-,24-,25?;19?,22-,23+,24?/m00000110/s1
InChIKeyIHZQNOOPIOGJAI-KDKPRGGNSA-N
MW3124.67 g/mol
LogP42.63
Rot. Bonds46

About 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone

2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone (PubChem CID 158704968) has the molecular formula C210H290F2N8O10 and a molecular weight of 3124.67 g/mol. Its IUPAC name is 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone
PubChem CID158704968
Molecular FormulaC210H290F2N8O10
Molecular Weight3124.67 g/mol
Exact Mass3122.24
IUPAC Name2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone
SMILESCCC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2.O=C(C[C@H]1CN2CCC1CC2)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C28H39NO2.C28H39NO.C27H37NO.C26H34FNO.C26H37NO2.C26H37NO.C25H35NO.C24H32FNO/c1-2-31-20-26-13-21-14-27(17-26,24-6-4-3-5-7-24)19-28(15-21,18-26)25(30)12-23-16-29-10-8-22(23)9-11-29;1-2-10-26-14-21-15-27(18-26,24-6-4-3-5-7-24)20-28(16-21,19-26)25(30)13-23-17-29-11-8-22(23)9-12-29;1-2-25-13-20-14-26(17-25,23-6-4-3-5-7-23)19-27(15-20,18-25)24(29)12-22-16-28-10-8-21(22)9-11-28;27-18-24-11-19-12-25(15-24,22-4-2-1-3-5-22)17-26(13-19,16-24)23(29)10-21-14-28-8-6-20(21)7-9-28;1-2-29-19-24-13-21-14-25(16-24,22-6-4-3-5-7-22)18-26(15-21,17-24)23(28)12-20-8-10-27-11-9-20;1-2-10-24-14-21-15-25(17-24,22-6-4-3-5-7-22)19-26(16-21,18-24)23(28)13-20-8-11-27-12-9-20;1-2-23-13-20-14-24(16-23,21-6-4-3-5-7-21)18-25(15-20,17-23)22(27)12-19-8-10-26-11-9-19;25-17-22-11-19-12-23(14-22,20-4-2-1-3-5-20)16-24(13-19,15-22)21(27)10-18-6-8-26-9-7-18/h3-7,21-23H,2,8-20H2,1H3;3-7,21-23H,2,8-20H2,1H3;3-7,20-22H,2,8-19H2,1H3;1-5,19-21H,6-18H2;3-7,20-21,27H,2,8-19H2,1H3;3-7,20-21,27H,2,8-19H2,1H3;3-7,19-20,26H,2,8-18H2,1H3;1-5,18-19,26H,6-17H2/t21?,23-,26-,27+,28?;21?,23-,26+,27+,28?;20?,22-,25+,26+,27?;19?,21-,24-,25+,26?;21?,24-,25+,26?;21?,24-,25-,26?;20?,23-,24-,25?;19?,22-,23+,24?/m00000110/s1
InChIKeyIHZQNOOPIOGJAI-KDKPRGGNSA-N
XLogP42.63
TPSA216.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003124.67
LogP ≤ 542.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone?
The IUPAC name of 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone (CID 158704968) is 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone?
The canonical SMILES for 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone is CCC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CCOC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)CC4CCNCC4)(C1)C[C@@](c1ccccc1)(C3)C2.CC[C@]12CC3CC(C(=O)C[C@H]4CN5CCC4CC5)(C1)C[C@@](c1ccccc1)(C3)C2.O=C(CC1CCNCC1)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2.O=C(C[C@H]1CN2CCC1CC2)C12CC3C[C@@](CF)(C1)C[C@](c1ccccc1)(C3)C2.
What is the InChIKey of 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone?
The InChIKey is IHZQNOOPIOGJAI-KDKPRGGNSA-N. The full InChI is InChI=1S/C28H39NO2.C28H39NO.C27H37NO.C26H34FNO.C26H37NO2.C26H37NO.C25H35NO.C24H32FNO/c1-2-31-20-26-13-21-14-27(17-26,24-6-4-3-5-7-24)19-28(15-21,18-26)25(30)12-23-16-29-10-8-22(23)9-11-29;1-2-10-26-14-21-15-27(18-26,24-6-4-3-5-7-24)20-28(16-21,19-26)25(30)13-23-17-29-11-8-22(23)9-12-29;1-2-25-13-20-14-26(17-25,23-6-4-3-5-7-23)19-27(15-20,18-25)24(29)12-22-16-28-10-8-21(22)9-11-28;27-18-24-11-19-12-25(15-24,22-4-2-1-3-5-22)17-26(13-19,16-24)23(29)10-21-14-28-8-6-20(21)7-9-28;1-2-29-19-24-13-21-14-25(16-24,22-6-4-3-5-7-22)18-26(15-21,17-24)23(28)12-20-8-10-27-11-9-20;1-2-10-24-14-21-15-25(17-24,22-6-4-3-5-7-22)19-26(16-21,18-24)23(28)13-20-8-11-27-12-9-20;1-2-23-13-20-14-24(16-23,21-6-4-3-5-7-21)18-25(15-20,17-23)22(27)12-19-8-10-26-11-9-19;25-17-22-11-19-12-23(14-22,20-4-2-1-3-5-20)16-24(13-19,15-22)21(27)10-18-6-8-26-9-7-18/h3-7,21-23H,2,8-20H2,1H3;3-7,21-23H,2,8-20H2,1H3;3-7,20-22H,2,8-19H2,1H3;1-5,19-21H,6-18H2;3-7,20-21,27H,2,8-19H2,1H3;3-7,20-21,27H,2,8-19H2,1H3;3-7,19-20,26H,2,8-18H2,1H3;1-5,18-19,26H,6-17H2/t21?,23-,26-,27+,28?;21?,23-,26+,27+,28?;20?,22-,25+,26+,27?;19?,21-,24-,25+,26?;21?,24-,25+,26?;21?,24-,25-,26?;20?,23-,24-,25?;19?,22-,23+,24?/m00000110/s1.
What are the key properties of 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone?
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone has a molecular weight of 3124.67 g/mol, XLogP of 42.63, 46 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]ethanone;2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]ethanone;1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-ethyl-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3S,5S)-3-(fluoromethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone;1-[(3R,5R)-3-phenyl-5-propyl-1-adamantyl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 158704968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).