2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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

C157H189F3N20O16 — CID 160633314

IUPAC2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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
SMILESCC(F)(F)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.CC1(F)Oc2ccc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)cc2O1.CCOC(=O)c1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H37FN4O4.C32H38N4O4.C32H40N4O4.C31H38F2N4O2.C30H36N4O2/c1-32(33)40-27-12-6-20(18-28(27)41-32)7-13-29(38)37-16-14-22(15-17-37)30(31(34)39)36-23-10-8-21(9-11-23)25-19-35-26-5-3-2-4-24(25)26;33-32(38)31(35-24-9-7-22(8-10-24)26-20-34-27-4-2-1-3-25(26)27)23-13-15-36(16-14-23)30(37)12-6-21-5-11-28-29(19-21)40-18-17-39-28;1-2-40-32(39)24-9-7-21(8-10-24)19-29(37)36-17-15-23(16-18-36)30(31(33)38)35-25-13-11-22(12-14-25)27-20-34-28-6-4-3-5-26(27)28;1-31(32,33)23-6-4-5-20(17-23)18-28(38)37-15-13-22(14-16-37)29(30(34)39)36-24-11-9-21(10-12-24)26-19-35-27-8-3-2-7-25(26)27;31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h2-7,12-13,18-19,21-23,30,35-36H,8-11,14-17H2,1H3,(H2,34,39);1-6,11-12,19-20,22-24,31,34-35H,7-10,13-18H2,(H2,33,38);3-10,20,22-23,25,30,34-35H,2,11-19H2,1H3,(H2,33,38);2-8,17,19,21-22,24,29,35-36H,9-16,18H2,1H3,(H2,34,39);1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b13-7+;12-6+;;;15-10+
InChIKeyRIEYVVFCCBMBPP-MARCAARBSA-N
MW2669.36 g/mol
LogP23.48
Rot. Bonds38

About 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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

2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 (PubChem CID 160633314) has the molecular formula C157H189F3N20O16 and a molecular weight of 2669.36 g/mol. Its IUPAC name is 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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.

Molecular Properties

Compound Name2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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
PubChem CID160633314
Molecular FormulaC157H189F3N20O16
Molecular Weight2669.36 g/mol
Exact Mass2667.45
IUPAC Name2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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
SMILESCC(F)(F)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.CC1(F)Oc2ccc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)cc2O1.CCOC(=O)c1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H37FN4O4.C32H38N4O4.C32H40N4O4.C31H38F2N4O2.C30H36N4O2/c1-32(33)40-27-12-6-20(18-28(27)41-32)7-13-29(38)37-16-14-22(15-17-37)30(31(34)39)36-23-10-8-21(9-11-23)25-19-35-26-5-3-2-4-24(25)26;33-32(38)31(35-24-9-7-22(8-10-24)26-20-34-27-4-2-1-3-25(26)27)23-13-15-36(16-14-23)30(37)12-6-21-5-11-28-29(19-21)40-18-17-39-28;1-2-40-32(39)24-9-7-21(8-10-24)19-29(37)36-17-15-23(16-18-36)30(31(33)38)35-25-13-11-22(12-14-25)27-20-34-28-6-4-3-5-26(27)28;1-31(32,33)23-6-4-5-20(17-23)18-28(38)37-15-13-22(14-16-37)29(30(34)39)36-24-11-9-21(10-12-24)26-19-35-27-8-3-2-7-25(26)27;31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h2-7,12-13,18-19,21-23,30,35-36H,8-11,14-17H2,1H3,(H2,34,39);1-6,11-12,19-20,22-24,31,34-35H,7-10,13-18H2,(H2,33,38);3-10,20,22-23,25,30,34-35H,2,11-19H2,1H3,(H2,33,38);2-8,17,19,21-22,24,29,35-36H,9-16,18H2,1H3,(H2,34,39);1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b13-7+;12-6+;;;15-10+
InChIKeyRIEYVVFCCBMBPP-MARCAARBSA-N
XLogP23.48
TPSA519.32 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002669.36
LogP ≤ 523.48
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 with MolForge

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Related Compounds

2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,4-dimethylindole;1,6-dimethyl-2H-indol-3-one;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,2-dihydroindol-3-one;4-methyl-1H-indole
CID 157905003
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
bis(tert-butylbenzene);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane;methane
CID 158209522
[2-[5-[[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
CID 158362558
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(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 158811087
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
CID 158928204
[(1S,3'S)-2,3'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(2-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;(3-methyl-4-propan-2-yloxyphenyl)-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;molecular hydrogen
CID 159005885
(10R)-10-(1,3-benzodioxol-5-yl)-9,10-dihydro-4H-indolizino[6,7-b]indole-2,3-dicarboxamide;(10R)-10-(1,3-benzodioxol-5-yl)-2-formyl-1-(trifluoromethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide;ethyl (10R)-10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate
CID 159276505
bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);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-(3,4-dihydro-2H-chromen-6-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-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
CID 159453720
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159533361
2-[4-[[5-[[(1S)-1-cyclohexylethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-1-(3,5-difluoro-4-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 159999322
N-[[1-[[3-(1,1-difluoroethoxy)phenyl]methyl]piperidin-3-yl]methyl]-N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[[1-[[4-(1,1-difluoroethoxy)phenyl]methyl]piperidin-3-yl]methyl]-N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-ethyl-4,6-difluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4,6-difluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-5,6-difluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-5,6-difluoro-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-5-phenylmethoxy-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 160107337

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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?
The IUPAC name of 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 160633314) is 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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.
What is the SMILES notation for 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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?
The canonical SMILES for 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 is CC(F)(F)c1cccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1.CC1(F)Oc2ccc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)cc2O1.CCOC(=O)c1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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?
The InChIKey is RIEYVVFCCBMBPP-MARCAARBSA-N. The full InChI is InChI=1S/C32H37FN4O4.C32H38N4O4.C32H40N4O4.C31H38F2N4O2.C30H36N4O2/c1-32(33)40-27-12-6-20(18-28(27)41-32)7-13-29(38)37-16-14-22(15-17-37)30(31(34)39)36-23-10-8-21(9-11-23)25-19-35-26-5-3-2-4-24(25)26;33-32(38)31(35-24-9-7-22(8-10-24)26-20-34-27-4-2-1-3-25(26)27)23-13-15-36(16-14-23)30(37)12-6-21-5-11-28-29(19-21)40-18-17-39-28;1-2-40-32(39)24-9-7-21(8-10-24)19-29(37)36-17-15-23(16-18-36)30(31(33)38)35-25-13-11-22(12-14-25)27-20-34-28-6-4-3-5-26(27)28;1-31(32,33)23-6-4-5-20(17-23)18-28(38)37-15-13-22(14-16-37)29(30(34)39)36-24-11-9-21(10-12-24)26-19-35-27-8-3-2-7-25(26)27;31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h2-7,12-13,18-19,21-23,30,35-36H,8-11,14-17H2,1H3,(H2,34,39);1-6,11-12,19-20,22-24,31,34-35H,7-10,13-18H2,(H2,33,38);3-10,20,22-23,25,30,34-35H,2,11-19H2,1H3,(H2,33,38);2-8,17,19,21-22,24,29,35-36H,9-16,18H2,1H3,(H2,34,39);1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b13-7+;12-6+;;;15-10+.
What are the key properties of 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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?
2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 has a molecular weight of 2669.36 g/mol, XLogP of 23.48, 38 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]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 is sourced from PubChem (CID 160633314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).