N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

C121H167F17N10O13 — CID 158241675

IUPACN-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NC(C)(C)CO)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3(O)CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3CCCO3)c(F)c2)CC1.CCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3(C)CC3)c(F)c2)CC1
InChIInChI=1S/C25H34F4N2O2.C25H35F3N2O3.C24H33F3N2O3.C24H35F3N2O3.C23H30F4N2O2/c1-3-25(28,29)15-31-9-4-16(5-10-31)19-12-17(19)6-11-33-18-13-20(26)22(21(27)14-18)23(32)30-24(2)7-8-24;1-25(27,28)16-30-9-6-17(7-10-30)22-13-18(22)8-12-33-19-4-5-21(23(26)14-19)24(31)29-15-20-3-2-11-32-20;1-23(26,27)15-29-9-4-16(5-10-29)20-12-17(20)6-11-32-18-2-3-19(21(25)13-18)22(30)28-14-24(31)7-8-24;1-23(2,15-30)28-22(31)19-5-4-18(13-21(19)25)32-11-8-17-12-20(17)16-6-9-29(10-7-16)14-24(3,26)27;1-23(26,27)13-29-7-4-14(5-8-29)18-10-15(18)6-9-31-17-11-19(24)21(20(25)12-17)22(30)28-16-2-3-16/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,30,32);4-5,14,17-18,20,22H,2-3,6-13,15-16H2,1H3,(H,29,31);2-3,13,16-17,20,31H,4-12,14-15H2,1H3,(H,28,30);4-5,13,16-17,20,30H,6-12,14-15H2,1-3H3,(H,28,31);11-12,14-16,18H,2-10,13H2,1H3,(H,28,30)/t17-,19-;18-,20?,22-;2*17-,20-;15-,18-/m11111/s1
InChIKeyGFPOTNLHEMNMOE-LJODUZSUSA-N
MW2292.69 g/mol
LogP22.50
Rot. Bonds49

About N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 158241675) has the molecular formula C121H167F17N10O13 and a molecular weight of 2292.69 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID158241675
Molecular FormulaC121H167F17N10O13
Molecular Weight2292.69 g/mol
Exact Mass2291.24
IUPAC NameN-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NC(C)(C)CO)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3(O)CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3CCCO3)c(F)c2)CC1.CCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3(C)CC3)c(F)c2)CC1
InChIInChI=1S/C25H34F4N2O2.C25H35F3N2O3.C24H33F3N2O3.C24H35F3N2O3.C23H30F4N2O2/c1-3-25(28,29)15-31-9-4-16(5-10-31)19-12-17(19)6-11-33-18-13-20(26)22(21(27)14-18)23(32)30-24(2)7-8-24;1-25(27,28)16-30-9-6-17(7-10-30)22-13-18(22)8-12-33-19-4-5-21(23(26)14-19)24(31)29-15-20-3-2-11-32-20;1-23(26,27)15-29-9-4-16(5-10-29)20-12-17(20)6-11-32-18-2-3-19(21(25)13-18)22(30)28-14-24(31)7-8-24;1-23(2,15-30)28-22(31)19-5-4-18(13-21(19)25)32-11-8-17-12-20(17)16-6-9-29(10-7-16)14-24(3,26)27;1-23(26,27)13-29-7-4-14(5-8-29)18-10-15(18)6-9-31-17-11-19(24)21(20(25)12-17)22(30)28-16-2-3-16/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,30,32);4-5,14,17-18,20,22H,2-3,6-13,15-16H2,1H3,(H,29,31);2-3,13,16-17,20,31H,4-12,14-15H2,1H3,(H,28,30);4-5,13,16-17,20,30H,6-12,14-15H2,1-3H3,(H,28,31);11-12,14-16,18H,2-10,13H2,1H3,(H,28,30)/t17-,19-;18-,20?,22-;2*17-,20-;15-,18-/m11111/s1
InChIKeyGFPOTNLHEMNMOE-LJODUZSUSA-N
XLogP22.50
TPSA257.54 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds49
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002292.69
LogP ≤ 522.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

N-tert-butyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorobenzamide;N-(2,2-difluorocyclopropyl)-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-fluoro-N-(2-hydroxyethyl)benzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 157570990
6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 158080012
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
CID 158648121
N-(1-benzylpiperidin-4-yl)-4-butoxy-3,5-dimethylbenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-3,5-dimethylbenzamide;3,5-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-(2-morpholin-4-yl-1-phenylethyl)-4-phenylmethoxybenzamide
CID 158658952
tert-butyl 5-fluoro-4-[[4-(4-phenylpiperidine-1-carbonyl)phenoxy]methyl]pent-4-enoate;cyclohexylbenzene;4-[2-(fluoromethylidene)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentoxy]benzoic acid;methane;2,2,2-trifluoro-N-[3-fluoro-2-[[4-(4-phenylpiperidine-1-carbonyl)phenoxy]methyl]prop-2-enyl]acetamide;2,2,2-trifluoro-N-[(Z)-3-fluoro-2-[[4-(4-phenylpiperidine-1-carbonyl)phenoxy]methyl]prop-2-enyl]acetamide;tritiomethane
CID 159048632
N-(1-benzylpiperidin-4-yl)-4-butoxy-3,5-dimethylbenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-3,5-dimethylbenzamide;3,5-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 159674548
CID 160042032
CID 160042032
6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 160540996
4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethylbenzamide;4-butoxy-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3,5-dimethylbenzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-3,5-dimethyl-4-phenylmethoxybenzamide;N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-4-phenylmethoxybenzamide;N-[(1-hydroxycyclohexyl)methyl]-3,5-dimethyl-4-phenylmethoxybenzamide;N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3,5-dimethyl-4-phenylmethoxybenzamide
CID 160648014
4-(1-acetylpiperidin-4-yl)oxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-piperidin-4-yloxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 161417103
CID 161588684
CID 161588684
6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 162145122

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 158241675) is N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NC(C)(C)CO)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3(O)CC3)c(F)c2)CC1.CC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2ccc(C(=O)NCC3CCCO3)c(F)c2)CC1.CCC(F)(F)CN1CCC([C@H]2C[C@H]2CCOc2cc(F)c(C(=O)NC3(C)CC3)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GFPOTNLHEMNMOE-LJODUZSUSA-N. The full InChI is InChI=1S/C25H34F4N2O2.C25H35F3N2O3.C24H33F3N2O3.C24H35F3N2O3.C23H30F4N2O2/c1-3-25(28,29)15-31-9-4-16(5-10-31)19-12-17(19)6-11-33-18-13-20(26)22(21(27)14-18)23(32)30-24(2)7-8-24;1-25(27,28)16-30-9-6-17(7-10-30)22-13-18(22)8-12-33-19-4-5-21(23(26)14-19)24(31)29-15-20-3-2-11-32-20;1-23(26,27)15-29-9-4-16(5-10-29)20-12-17(20)6-11-32-18-2-3-19(21(25)13-18)22(30)28-14-24(31)7-8-24;1-23(2,15-30)28-22(31)19-5-4-18(13-21(19)25)32-11-8-17-12-20(17)16-6-9-29(10-7-16)14-24(3,26)27;1-23(26,27)13-29-7-4-14(5-8-29)18-10-15(18)6-9-31-17-11-19(24)21(20(25)12-17)22(30)28-16-2-3-16/h13-14,16-17,19H,3-12,15H2,1-2H3,(H,30,32);4-5,14,17-18,20,22H,2-3,6-13,15-16H2,1H3,(H,29,31);2-3,13,16-17,20,31H,4-12,14-15H2,1H3,(H,28,30);4-5,13,16-17,20,30H,6-12,14-15H2,1-3H3,(H,28,31);11-12,14-16,18H,2-10,13H2,1H3,(H,28,30)/t17-,19-;18-,20?,22-;2*17-,20-;15-,18-/m11111/s1.
What are the key properties of N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 2292.69 g/mol, XLogP of 22.50, 49 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 158241675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).