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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide

C224H285F3N30O28S — CID 159524128

IUPAC4-(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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
SMILESCC(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCN(CCO)CC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C27H37N3O3.C26H32F3N3O3.C26H36N4O3.C26H33N3O4.C26H34N2O3.C25H33N3O5S.C25H33N3O3.C22H24N4O2.C21H23N5O2/c1-20(2)30-15-12-26(13-16-30)33-25-9-7-22(8-10-25)27(32)28-17-24(31)19-29-14-11-21-5-3-4-6-23(21)18-29;27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32;31-15-14-28-10-12-29(13-11-28)18-21-4-3-7-23(16-21)26(33)27-17-25(32)20-30-9-8-22-5-1-2-6-24(22)19-30;1-19(30)29-14-11-25(12-15-29)33-24-8-6-21(7-9-24)26(32)27-16-23(31)18-28-13-10-20-4-2-3-5-22(20)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;1-34(31,32)28-14-11-24(12-15-28)33-23-8-6-20(7-9-23)25(30)26-16-22(29)18-27-13-10-19-4-2-3-5-21(19)17-27;1-27-13-11-24(12-14-27)31-23-8-6-20(7-9-23)25(30)26-16-22(29)18-28-15-10-19-4-2-3-5-21(19)17-28;27-19(15-26-11-10-16-6-4-5-9-18(16)14-26)12-23-22(28)20-13-24-25-21(20)17-7-2-1-3-8-17;27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h3-10,20,24,26,31H,11-19H2,1-2H3,(H,28,32);1-8,22,24,33H,9-18H2,(H,30,34);1-7,16,25,31-32H,8-15,17-20H2,(H,27,33);2-9,23,25,31H,10-18H2,1H3,(H,27,32);2-8,16,20,25,29H,9-15,17-19H2,1H3;2-9,22,24,29H,10-18H2,1H3,(H,26,30);2-9,22,24,29H,10-18H2,1H3,(H,26,30);1-9,13,19,27H,10-12,14-15H2,(H,23,28)(H,24,25);1-8,14-15,20,27H,9-13H2,(H,23,28)/t;;;;25-;;;;/m....0..../s1
InChIKeyMCEFHTUYVKJKLZ-ATMUZWOCSA-N
MW3934.99 g/mol
LogP20.24
Rot. Bonds66

About 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide

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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide (PubChem CID 159524128) has the molecular formula C224H285F3N30O28S and a molecular weight of 3934.99 g/mol. Its IUPAC name is 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-(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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
PubChem CID159524128
Molecular FormulaC224H285F3N30O28S
Molecular Weight3934.99 g/mol
Exact Mass3932.15
IUPAC Name4-(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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
SMILESCC(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCN(CCO)CC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C27H37N3O3.C26H32F3N3O3.C26H36N4O3.C26H33N3O4.C26H34N2O3.C25H33N3O5S.C25H33N3O3.C22H24N4O2.C21H23N5O2/c1-20(2)30-15-12-26(13-16-30)33-25-9-7-22(8-10-25)27(32)28-17-24(31)19-29-14-11-21-5-3-4-6-23(21)18-29;27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32;31-15-14-28-10-12-29(13-11-28)18-21-4-3-7-23(16-21)26(33)27-17-25(32)20-30-9-8-22-5-1-2-6-24(22)19-30;1-19(30)29-14-11-25(12-15-29)33-24-8-6-21(7-9-24)26(32)27-16-23(31)18-28-13-10-20-4-2-3-5-22(20)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;1-34(31,32)28-14-11-24(12-15-28)33-23-8-6-20(7-9-23)25(30)26-16-22(29)18-27-13-10-19-4-2-3-5-21(19)17-27;1-27-13-11-24(12-14-27)31-23-8-6-20(7-9-23)25(30)26-16-22(29)18-28-15-10-19-4-2-3-5-21(19)17-28;27-19(15-26-11-10-16-6-4-5-9-18(16)14-26)12-23-22(28)20-13-24-25-21(20)17-7-2-1-3-8-17;27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h3-10,20,24,26,31H,11-19H2,1-2H3,(H,28,32);1-8,22,24,33H,9-18H2,(H,30,34);1-7,16,25,31-32H,8-15,17-20H2,(H,27,33);2-9,23,25,31H,10-18H2,1H3,(H,27,32);2-8,16,20,25,29H,9-15,17-19H2,1H3;2-9,22,24,29H,10-18H2,1H3,(H,26,30);2-9,22,24,29H,10-18H2,1H3,(H,26,30);1-9,13,19,27H,10-12,14-15H2,(H,23,28)(H,24,25);1-8,14-15,20,27H,9-13H2,(H,23,28)/t;;;;25-;;;;/m....0..../s1
InChIKeyMCEFHTUYVKJKLZ-ATMUZWOCSA-N
XLogP20.24
TPSA673.23 Ų
H-Bond Donors19
H-Bond Acceptors46
Rotatable Bonds66
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003934.99
LogP ≤ 520.24
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1046

Analyze 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

bis((4S)-1-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one);6-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxolan-3-ylmethyl)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-4-carboxamide
CID 157124343
CID 157232373
CID 157232373
5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
CID 157598358
4-(1-acetylpiperidin-4-yl)oxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
CID 157944661
CID 158502304
CID 158502304
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159015053
CID 159382095
CID 159382095
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
CID 159516215
CID 160428418
CID 160428418
CID 160571682
CID 160571682
CID 160657303
CID 160657303
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[4-(methylamino)-4-oxobutyl]piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methylimidazole-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylamino)-1H-pyrazole-5-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-oxopropyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3H-pyrrole-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyrrolidin-3-yloxybenzamide
CID 159074899

Frequently Asked Questions

What is the IUPAC name of 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide (CID 159524128) is 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide is CC(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.CN1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCN(CCO)CC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is MCEFHTUYVKJKLZ-ATMUZWOCSA-N. The full InChI is InChI=1S/C27H37N3O3.C26H32F3N3O3.C26H36N4O3.C26H33N3O4.C26H34N2O3.C25H33N3O5S.C25H33N3O3.C22H24N4O2.C21H23N5O2/c1-20(2)30-15-12-26(13-16-30)33-25-9-7-22(8-10-25)27(32)28-17-24(31)19-29-14-11-21-5-3-4-6-23(21)18-29;27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32;31-15-14-28-10-12-29(13-11-28)18-21-4-3-7-23(16-21)26(33)27-17-25(32)20-30-9-8-22-5-1-2-6-24(22)19-30;1-19(30)29-14-11-25(12-15-29)33-24-8-6-21(7-9-24)26(32)27-16-23(31)18-28-13-10-20-4-2-3-5-22(20)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;1-34(31,32)28-14-11-24(12-15-28)33-23-8-6-20(7-9-23)25(30)26-16-22(29)18-27-13-10-19-4-2-3-5-21(19)17-27;1-27-13-11-24(12-14-27)31-23-8-6-20(7-9-23)25(30)26-16-22(29)18-28-15-10-19-4-2-3-5-21(19)17-28;27-19(15-26-11-10-16-6-4-5-9-18(16)14-26)12-23-22(28)20-13-24-25-21(20)17-7-2-1-3-8-17;27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h3-10,20,24,26,31H,11-19H2,1-2H3,(H,28,32);1-8,22,24,33H,9-18H2,(H,30,34);1-7,16,25,31-32H,8-15,17-20H2,(H,27,33);2-9,23,25,31H,10-18H2,1H3,(H,27,32);2-8,16,20,25,29H,9-15,17-19H2,1H3;2-9,22,24,29H,10-18H2,1H3,(H,26,30);2-9,22,24,29H,10-18H2,1H3,(H,26,30);1-9,13,19,27H,10-12,14-15H2,(H,23,28)(H,24,25);1-8,14-15,20,27H,9-13H2,(H,23,28)/t;;;;25-;;;;/m....0..../s1.
What are the key properties of 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?
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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 3934.99 g/mol, XLogP of 20.24, 66 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)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-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;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]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 159524128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).