About 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone
1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone (PubChem CID 158915832) has the molecular formula C136H189F4N13O17S4
and a molecular weight of 2482.34 g/mol. Its IUPAC name is 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone (CID 158915832) is 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone is CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1.COc1cc(C)c(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N2CCC3(CC2)CCC(c2ccccc2)(N(C)C)CC3)c(C)c1.COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCC(=O)N2CCC3(CC2)CCC(c2ccccc2)(N(C)C)CC3)c(C)c1.COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)N2CCC3(CC2)CCC(c2cccc(F)c2)(N(C)C)CC3)c(C)c1.
What is the InChIKey of 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone?
The InChIKey is JHFHBXAOUKIAGO-OMDRZKRNSA-N. The full InChI is InChI=1S/C36H53N3O4S.C35H50FN3O5S.C33H44N4O5S.C32H42F3N3O3S/c1-28-26-32(43-5)27-29(2)34(28)44(41,42)39-23-10-9-14-31(39)15-11-16-33(40)38-24-21-35(22-25-38)17-19-36(20-18-35,37(3)4)30-12-7-6-8-13-30;1-26-21-31(43-5)22-27(2)33(26)45(41,42)39-18-7-6-11-30(39)24-44-25-32(40)38-19-16-34(17-20-38)12-14-35(15-13-34,37(3)4)28-9-8-10-29(36)23-28;1-24-21-27(42-5)22-25(2)30(24)43(40,41)37-20-17-34-31(39)28(37)23-29(38)36-18-15-32(16-19-36)11-13-33(14-12-32,35(3)4)26-9-7-6-8-10-26;1-36(2)31(25-9-4-3-5-10-25)16-14-30(15-17-31)18-21-37(22-19-30)29(39)24-27-12-6-7-20-38(27)42(40,41)28-13-8-11-26(23-28)32(33,34)35/h6-8,12-13,26-27,31H,9-11,14-25H2,1-5H3;8-10,21-23,30H,6-7,11-20,24-25H2,1-5H3;6-10,17,20-22,28H,11-16,18-19,23H2,1-5H3,(H,34,39);3-5,8-11,13,23,27H,6-7,12,14-22,24H2,1-2H3/t;30-;28-;/m.01./s1.
What are the key properties of 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone?
1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone has a molecular weight of 2482.34 g/mol, XLogP of 22.90, 31 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(dimethylamino)-9-(3-fluorophenyl)-3-azaspiro[5.5]undecan-3-yl]-2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-4-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one;(3R)-3-[2-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]-4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one;1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanone is sourced from PubChem (CID 158915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).