About N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine (PubChem CID 158524352) has the molecular formula C113H160F13N9O13S2
and a molecular weight of 2163.68 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine.
Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The IUPAC name of N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine (CID 158524352) is N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine.
What is the SMILES notation for N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The canonical SMILES for N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine is CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)N3CCCC(C(C)(C)O)C3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(S(C)(=O)=O)cn2)CC1.CCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(S(C)(=O)=O)c(F)c2)CC1.CCN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3CC(F)(F)C3)c(F)c2)CC1.CCN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NC3CC3)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
The InChIKey is HMPJUAATRRPRMU-VKJWMGTISA-N. The full InChI is InChI=1S/C28H41F3N2O3.C23H30F4N2O2.C22H31FN2O2.C21H30F3NO3S.C19H28F2N2O3S/c1-27(2,35)21-5-4-11-33(17-21)26(34)23-7-6-22(16-25(23)29)36-14-10-20-15-24(20)19-8-12-32(13-9-19)18-28(3,30)31;1-2-29-6-3-14(4-7-29)18-9-15(18)5-8-31-17-10-19(24)21(20(25)11-17)22(30)28-16-12-23(26,27)13-16;1-2-25-10-7-15(8-11-25)20-13-16(20)9-12-27-18-5-6-19(21(23)14-18)22(26)24-17-3-4-17;1-3-21(23,24)14-25-9-6-15(7-10-25)18-12-16(18)8-11-28-17-4-5-20(19(22)13-17)29(2,26)27;1-19(20,21)13-23-8-5-14(6-9-23)17-11-15(17)7-10-26-18-4-3-16(12-22-18)27(2,24)25/h6-7,16,19-21,24,35H,4-5,8-15,17-18H2,1-3H3;10-11,14-16,18H,2-9,12-13H2,1H3,(H,28,30);5-6,14-17,20H,2-4,7-13H2,1H3,(H,24,26);4-5,13,15-16,18H,3,6-12,14H2,1-2H3;3-4,12,14-15,17H,5-11,13H2,1-2H3/t20-,21?,24-;15-,18-;16-,20-;16-,18-;15-,17-/m11111/s1.
What are the key properties of N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine?
N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine has a molecular weight of 2163.68 g/mol, XLogP of 21.35, 42 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;N-(3,3-difluorocyclobutyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;2-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine is sourced from PubChem (CID 158524352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).