6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid

C143H170Br2F3N21O20Si — CID 167605770

IUPAC6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CO[Si](C)(C)C(C)(C)C)(n2cc(C=O)cn2)CC1.CC1(C(=O)N2CCC(CO)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CC1.CCC1(/N=C/C(=CN)C(O)c2ccc3c4c(cccc24)C(=O)N3)CCN(C(=O)OC(C)(C)C)CC1.CCC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CCN(C(=O)C2(C)CC2)CC1.NC=C(/C=N/C1(CO)CCNCC1)Cc1ccc2c3c(cccc13)C(=O)N2.O=C(O)C1(C(F)(F)F)CC1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23
InChIInChI=1S/C27H34N4O4.C27H30N4O2.C26H28N4O3.C21H24N4O2.C21H37N3O4Si.C11H6BrNO.C5H6BrNO2.C5H5F3O2/c1-5-27(11-13-31(14-12-27)25(34)35-26(2,3)4)29-16-17(15-28)23(32)19-9-10-21-22-18(19)7-6-8-20(22)24(33)30-21;1-3-27(11-13-30(14-12-27)25(33)26(2)9-10-26)31-17-18(16-28-31)15-19-7-8-22-23-20(19)5-4-6-21(23)24(32)29-22;1-25(7-8-25)24(33)29-11-9-26(16-31,10-12-29)30-15-17(14-27-30)13-18-5-6-21-22-19(18)3-2-4-20(22)23(32)28-21;22-11-14(12-24-21(13-26)6-8-23-9-7-21)10-15-4-5-18-19-16(15)2-1-3-17(19)20(27)25-18;1-19(2,3)28-18(26)23-11-9-21(10-12-23,24-14-17(15-25)13-22-24)16-27-29(7,8)20(4,5)6;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;6-3-1-2-4(8)7-5(3)9;6-5(7,8)4(1-2-4)3(9)10/h6-10,15-16,23,32H,5,11-14,28H2,1-4H3,(H,30,33);4-8,16-17H,3,9-15H2,1-2H3,(H,29,32);2-6,14-15,31H,7-13,16H2,1H3,(H,28,32);1-5,11-12,23,26H,6-10,13,22H2,(H,25,27);13-15H,9-12,16H2,1-8H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1-2H2,(H,9,10)/b17-15?,29-16+;;;14-11?,24-12+;;;;
InChIKeyJIQCCABVONHCKS-SCSSESDXSA-N
MW2747.95 g/mol
LogP23.74
Rot. Bonds26

About 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid

6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 167605770) has the molecular formula C143H170Br2F3N21O20Si and a molecular weight of 2747.95 g/mol. Its IUPAC name is 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID167605770
Molecular FormulaC143H170Br2F3N21O20Si
Molecular Weight2747.95 g/mol
Exact Mass2744.10
IUPAC Name6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CO[Si](C)(C)C(C)(C)C)(n2cc(C=O)cn2)CC1.CC1(C(=O)N2CCC(CO)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CC1.CCC1(/N=C/C(=CN)C(O)c2ccc3c4c(cccc24)C(=O)N3)CCN(C(=O)OC(C)(C)C)CC1.CCC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CCN(C(=O)C2(C)CC2)CC1.NC=C(/C=N/C1(CO)CCNCC1)Cc1ccc2c3c(cccc13)C(=O)N2.O=C(O)C1(C(F)(F)F)CC1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23
InChIInChI=1S/C27H34N4O4.C27H30N4O2.C26H28N4O3.C21H24N4O2.C21H37N3O4Si.C11H6BrNO.C5H6BrNO2.C5H5F3O2/c1-5-27(11-13-31(14-12-27)25(34)35-26(2,3)4)29-16-17(15-28)23(32)19-9-10-21-22-18(19)7-6-8-20(22)24(33)30-21;1-3-27(11-13-30(14-12-27)25(33)26(2)9-10-26)31-17-18(16-28-31)15-19-7-8-22-23-20(19)5-4-6-21(23)24(32)29-22;1-25(7-8-25)24(33)29-11-9-26(16-31,10-12-29)30-15-17(14-27-30)13-18-5-6-21-22-19(18)3-2-4-20(22)23(32)28-21;22-11-14(12-24-21(13-26)6-8-23-9-7-21)10-15-4-5-18-19-16(15)2-1-3-17(19)20(27)25-18;1-19(2,3)28-18(26)23-11-9-21(10-12-23,24-14-17(15-25)13-22-24)16-27-29(7,8)20(4,5)6;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;6-3-1-2-4(8)7-5(3)9;6-5(7,8)4(1-2-4)3(9)10/h6-10,15-16,23,32H,5,11-14,28H2,1-4H3,(H,30,33);4-8,16-17H,3,9-15H2,1-2H3,(H,29,32);2-6,14-15,31H,7-13,16H2,1H3,(H,28,32);1-5,11-12,23,26H,6-10,13,22H2,(H,25,27);13-15H,9-12,16H2,1-8H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1-2H2,(H,9,10)/b17-15?,29-16+;;;14-11?,24-12+;;;;
InChIKeyJIQCCABVONHCKS-SCSSESDXSA-N
XLogP23.74
TPSA557.91 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002747.95
LogP ≤ 523.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

6-[3-amino-2-[[1-[(1-methylcyclobutyl)methyl]-4-(trifluoromethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-[3-amino-2-[[4-(trifluoromethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-(trifluoromethyl)piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-4-(trifluoromethyl)piperidine-1-carboxylate;tert-butyl 4-[4-(hydroxymethyl)pyrazol-1-yl]-4-(trifluoromethyl)piperidine-1-carboxylate;1-methylcyclobutane-1-carbaldehyde
CID 167607543
5-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;methane
CID 167533498
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;cubane-1-carboxylic acid;bis(6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);hydrochloride
CID 167545612
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one
CID 167548187
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
CID 167578221
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxobenzo[cd]indol-6-ylidene)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate
CID 167588597
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167665354
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[(3-amino-2-formylprop-2-enylidene)amino]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one
CID 167711112

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 167605770) is 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CO[Si](C)(C)C(C)(C)C)(n2cc(C=O)cn2)CC1.CC1(C(=O)N2CCC(CO)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CC1.CCC1(/N=C/C(=CN)C(O)c2ccc3c4c(cccc24)C(=O)N3)CCN(C(=O)OC(C)(C)C)CC1.CCC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CCN(C(=O)C2(C)CC2)CC1.NC=C(/C=N/C1(CO)CCNCC1)Cc1ccc2c3c(cccc13)C(=O)N2.O=C(O)C1(C(F)(F)F)CC1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.
What is the InChIKey of 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is JIQCCABVONHCKS-SCSSESDXSA-N. The full InChI is InChI=1S/C27H34N4O4.C27H30N4O2.C26H28N4O3.C21H24N4O2.C21H37N3O4Si.C11H6BrNO.C5H6BrNO2.C5H5F3O2/c1-5-27(11-13-31(14-12-27)25(34)35-26(2,3)4)29-16-17(15-28)23(32)19-9-10-21-22-18(19)7-6-8-20(22)24(33)30-21;1-3-27(11-13-30(14-12-27)25(33)26(2)9-10-26)31-17-18(16-28-31)15-19-7-8-22-23-20(19)5-4-6-21(23)24(32)29-22;1-25(7-8-25)24(33)29-11-9-26(16-31,10-12-29)30-15-17(14-27-30)13-18-5-6-21-22-19(18)3-2-4-20(22)23(32)28-21;22-11-14(12-24-21(13-26)6-8-23-9-7-21)10-15-4-5-18-19-16(15)2-1-3-17(19)20(27)25-18;1-19(2,3)28-18(26)23-11-9-21(10-12-23,24-14-17(15-25)13-22-24)16-27-29(7,8)20(4,5)6;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;6-3-1-2-4(8)7-5(3)9;6-5(7,8)4(1-2-4)3(9)10/h6-10,15-16,23,32H,5,11-14,28H2,1-4H3,(H,30,33);4-8,16-17H,3,9-15H2,1-2H3,(H,29,32);2-6,14-15,31H,7-13,16H2,1H3,(H,28,32);1-5,11-12,23,26H,6-10,13,22H2,(H,25,27);13-15H,9-12,16H2,1-8H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1-2H2,(H,9,10)/b17-15?,29-16+;;;14-11?,24-12+;;;;.
What are the key properties of 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 2747.95 g/mol, XLogP of 23.74, 26 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-2-[[4-(hydroxymethyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[[3-amino-2-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]prop-2-enylidene]amino]-4-ethylpiperidine-1-carboxylate;tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;6-[[1-[4-ethyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[4-(hydroxymethyl)-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167605770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).