2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide

C158H194F2N20O13 — CID 161166338

IUPAC2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
SMILESCC(F)(F)Oc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.CCOC(=O)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C33H40N4O2.C32H38F2N4O3.C32H40N4O4.C31H38N4O2.C30H38N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22;1-32(33,34)41-25-13-6-21(7-14-25)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-24-11-9-22(10-12-24)27-20-36-28-5-3-2-4-26(27)28;1-2-40-32(39)24-7-5-6-21(18-24)19-29(37)36-16-14-23(15-17-36)30(31(33)38)35-25-12-10-22(11-13-25)27-20-34-28-9-4-3-8-26(27)28;1-21-6-8-22(9-7-21)10-15-29(36)35-18-16-24(17-19-35)30(31(32)37)34-25-13-11-23(12-14-25)27-20-33-28-5-3-2-4-26(27)28;1-20-5-4-6-21(17-20)18-28(35)34-15-13-23(14-16-34)29(30(31)36)33-24-11-9-22(10-12-24)26-19-32-27-8-3-2-7-25(26)27/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39);2-8,13-15,20,22-24,30,36-37H,9-12,16-19H2,1H3,(H2,35,40);3-9,18,20,22-23,25,30,34-35H,2,10-17,19H2,1H3,(H2,33,38);2-10,15,20,23-25,30,33-34H,11-14,16-19H2,1H3,(H2,32,37);2-8,17,19,22-24,29,32-33H,9-16,18H2,1H3,(H2,31,36)/b15-9+;15-8+;;15-10+;
InChIKeyUQOXRENLMBWXTG-DPTDNOTQSA-N
MW2619.41 g/mol
LogP24.28
Rot. Bonds39

About 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide

2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide (PubChem CID 161166338) has the molecular formula C158H194F2N20O13 and a molecular weight of 2619.41 g/mol. Its IUPAC name is 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
PubChem CID161166338
Molecular FormulaC158H194F2N20O13
Molecular Weight2619.41 g/mol
Exact Mass2617.51
IUPAC Name2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
SMILESCC(F)(F)Oc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.CCOC(=O)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C33H40N4O2.C32H38F2N4O3.C32H40N4O4.C31H38N4O2.C30H38N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22;1-32(33,34)41-25-13-6-21(7-14-25)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-24-11-9-22(10-12-24)27-20-36-28-5-3-2-4-26(27)28;1-2-40-32(39)24-7-5-6-21(18-24)19-29(37)36-16-14-23(15-17-36)30(31(33)38)35-25-12-10-22(11-13-25)27-20-34-28-9-4-3-8-26(27)28;1-21-6-8-22(9-7-21)10-15-29(36)35-18-16-24(17-19-35)30(31(32)37)34-25-13-11-23(12-14-25)27-20-33-28-5-3-2-4-26(27)28;1-20-5-4-6-21(17-20)18-28(35)34-15-13-23(14-16-34)29(30(31)36)33-24-11-9-22(10-12-24)26-19-32-27-8-3-2-7-25(26)27/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39);2-8,13-15,20,22-24,30,36-37H,9-12,16-19H2,1H3,(H2,35,40);3-9,18,20,22-23,25,30,34-35H,2,10-17,19H2,1H3,(H2,33,38);2-10,15,20,23-25,30,33-34H,11-14,16-19H2,1H3,(H2,32,37);2-8,17,19,22-24,29,32-33H,9-16,18H2,1H3,(H2,31,36)/b15-9+;15-8+;;15-10+;
InChIKeyUQOXRENLMBWXTG-DPTDNOTQSA-N
XLogP24.28
TPSA491.63 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds39
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002619.41
LogP ≤ 524.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-[3-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-4-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 129203829
N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-methyl-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203830
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-piperidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one
CID 157119948
Tert-butyl 4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;methane;5-methyl-7-[6-(3-piperazin-1-ylpropyl)-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 157223228
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-fluoro-5-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 157549720
2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 4-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 158145748
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089
1-(1-Aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158518897
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 158639602
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158714512
Tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride
CID 158721858

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide (CID 161166338) is 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide is CC(F)(F)Oc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.CCOC(=O)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.Cc1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?
The InChIKey is UQOXRENLMBWXTG-DPTDNOTQSA-N. The full InChI is InChI=1S/C33H40N4O2.C32H38F2N4O3.C32H40N4O4.C31H38N4O2.C30H38N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22;1-32(33,34)41-25-13-6-21(7-14-25)8-15-29(39)38-18-16-23(17-19-38)30(31(35)40)37-24-11-9-22(10-12-24)27-20-36-28-5-3-2-4-26(27)28;1-2-40-32(39)24-7-5-6-21(18-24)19-29(37)36-16-14-23(15-17-36)30(31(33)38)35-25-12-10-22(11-13-25)27-20-34-28-9-4-3-8-26(27)28;1-21-6-8-22(9-7-21)10-15-29(36)35-18-16-24(17-19-35)30(31(32)37)34-25-13-11-23(12-14-25)27-20-33-28-5-3-2-4-26(27)28;1-20-5-4-6-21(17-20)18-28(35)34-15-13-23(14-16-34)29(30(31)36)33-24-11-9-22(10-12-24)26-19-32-27-8-3-2-7-25(26)27/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39);2-8,13-15,20,22-24,30,36-37H,9-12,16-19H2,1H3,(H2,35,40);3-9,18,20,22-23,25,30,34-35H,2,10-17,19H2,1H3,(H2,33,38);2-10,15,20,23-25,30,33-34H,11-14,16-19H2,1H3,(H2,32,37);2-8,17,19,22-24,29,32-33H,9-16,18H2,1H3,(H2,31,36)/b15-9+;15-8+;;15-10+;.
What are the key properties of 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide?
2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide has a molecular weight of 2619.41 g/mol, XLogP of 24.28, 39 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 161166338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).