1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol

C167H197F3N18O6 — CID 158480044

IUPAC1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
SMILESC1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2.OC1CC2CCC1N(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C21H27FN2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C17H22N2O.C16H18N2/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;20-17-9-12-5-6-16(17)19(11-12)8-7-13-10-18-15-4-2-1-3-14(13)15;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-4,10,12,16-18,20H,5-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2
InChIKeyHHKILHIQWFNHPB-UHFFFAOYSA-N
MW2609.53 g/mol
LogP32.58
Rot. Bonds28

About 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol

1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol (PubChem CID 158480044) has the molecular formula C167H197F3N18O6 and a molecular weight of 2609.53 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
PubChem CID158480044
Molecular FormulaC167H197F3N18O6
Molecular Weight2609.53 g/mol
Exact Mass2607.56
IUPAC Name1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
SMILESC1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2.OC1CC2CCC1N(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C21H27FN2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C17H22N2O.C16H18N2/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;20-17-9-12-5-6-16(17)19(11-12)8-7-13-10-18-15-4-2-1-3-14(13)15;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-4,10,12,16-18,20H,5-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2
InChIKeyHHKILHIQWFNHPB-UHFFFAOYSA-N
XLogP32.58
TPSA276.85 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.53
LogP ≤ 532.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;4-(1,1-difluoroethyl)-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]aniline;N-[3-[1-ethyl-4-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline;1-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-ol;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]aniline
CID 158204084
sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 160629858
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one
CID 161139836
(2R)-N-[4-[bis[4-[[(2R)-3-hydroxy-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]phenyl]-3-hydroxy-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 87971520
(2S)-N-[4-[bis[4-[[(2S)-4-hydroxy-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]phenyl]-4-hydroxy-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 141592664
4-ethenyl-2-ethyl-1-methylcyclohexane;2-(5-fluoro-1H-indol-3-yl)acetamide;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
CID 144539627
N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide
CID 157487401
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
CID 157507933
CID 157595152
CID 157595152
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 157866067
(2S)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxypyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
CID 157914358
(3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxyhexyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(6-hydroxyoctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(5-oxohexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;8-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]octan-3-yl acetate;ethyl (2S)-2-[[(2S)-3-(1-methoxyindol-3-yl)-2-[[(2R)-8-oxo-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]decanoyl]amino]propanoyl]amino]-3-methylpentanoate
CID 157942120

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol?
The IUPAC name of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol (CID 158480044) is 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol.
What is the SMILES notation for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol?
The canonical SMILES for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol is C1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2.OC1CC2CCC1N(CCc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol?
The InChIKey is HHKILHIQWFNHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C17H22N2O.C16H18N2/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;20-17-9-12-5-6-16(17)19(11-12)8-7-13-10-18-15-4-2-1-3-14(13)15;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-4,10,12,16-18,20H,5-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2.
What are the key properties of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol?
1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol has a molecular weight of 2609.53 g/mol, XLogP of 32.58, 28 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol is sourced from PubChem (CID 158480044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).