6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride

C139H190Br2ClN29O26S — CID 167672656

IUPAC6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride
SMILESC#CC(OCC)OCC.CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])CC1.CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC1(C(=O)N2CCC(n3cc(C(O)c4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(C=O)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(OCC)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=Cc1cn(C2CCNCC2)nn1
InChIInChI=1S/C25H27N5O3.C25H27N5O2.C17H30N4O4.C14H20N4O2.C11H6BrNO.C11H21NO5S.C10H18N4O2.C8H12N4O.C7H12O2.C6H10O2.C5H6BrNO2.ClH/c1-25(10-3-11-25)24(33)29-12-8-15(9-13-29)30-14-20(27-28-30)22(31)17-6-7-19-21-16(17)4-2-5-18(21)23(32)26-19;1-25(10-3-11-25)24(32)29-12-8-18(9-13-29)30-15-17(27-28-30)14-16-6-7-21-22-19(16)4-2-5-20(22)23(31)26-21;1-6-23-15(24-7-2)14-12-21(19-18-14)13-8-10-20(11-9-13)16(22)25-17(3,4)5;1-14(5-2-6-14)13(20)17-7-3-12(4-8-17)18-9-11(10-19)15-16-18;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11;13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;1-4-7(8-5-2)9-6-3;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h2,4-7,14-15,22,31H,3,8-13H2,1H3,(H,26,32);2,4-7,15,18H,3,8-14H2,1H3,(H,26,31);12-13,15H,6-11H2,1-5H3;9-10,12H,2-8H2,1H3;1-5H,(H,13,14);9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-6,8-9H,1-4H2;1,7H,5-6H2,2-3H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H
InChIKeyAJYITVRRQVMHEI-UHFFFAOYSA-N
MW2910.55 g/mol
LogP21.87
Rot. Bonds27

About 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride (PubChem CID 167672656) has the molecular formula C139H190Br2ClN29O26S and a molecular weight of 2910.55 g/mol. Its IUPAC name is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride
PubChem CID167672656
Molecular FormulaC139H190Br2ClN29O26S
Molecular Weight2910.55 g/mol
Exact Mass2906.22
IUPAC Name6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride
SMILESC#CC(OCC)OCC.CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])CC1.CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC1(C(=O)N2CCC(n3cc(C(O)c4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(C=O)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(OCC)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=Cc1cn(C2CCNCC2)nn1
InChIInChI=1S/C25H27N5O3.C25H27N5O2.C17H30N4O4.C14H20N4O2.C11H6BrNO.C11H21NO5S.C10H18N4O2.C8H12N4O.C7H12O2.C6H10O2.C5H6BrNO2.ClH/c1-25(10-3-11-25)24(33)29-12-8-15(9-13-29)30-14-20(27-28-30)22(31)17-6-7-19-21-16(17)4-2-5-18(21)23(32)26-19;1-25(10-3-11-25)24(32)29-12-8-18(9-13-29)30-15-17(27-28-30)14-16-6-7-21-22-19(16)4-2-5-20(22)23(31)26-21;1-6-23-15(24-7-2)14-12-21(19-18-14)13-8-10-20(11-9-13)16(22)25-17(3,4)5;1-14(5-2-6-14)13(20)17-7-3-12(4-8-17)18-9-11(10-19)15-16-18;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11;13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;1-4-7(8-5-2)9-6-3;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h2,4-7,14-15,22,31H,3,8-13H2,1H3,(H,26,32);2,4-7,15,18H,3,8-14H2,1H3,(H,26,31);12-13,15H,6-11H2,1-5H3;9-10,12H,2-8H2,1H3;1-5H,(H,13,14);9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-6,8-9H,1-4H2;1,7H,5-6H2,2-3H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H
InChIKeyAJYITVRRQVMHEI-UHFFFAOYSA-N
XLogP21.87
TPSA669.32 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002910.55
LogP ≤ 521.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride with MolForge

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Related Compounds

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
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride
CID 167669061

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride?
The IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride (CID 167672656) is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride?
The canonical SMILES for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride is C#CC(OCC)OCC.CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])CC1.CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC1(C(=O)N2CCC(n3cc(C(O)c4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(C=O)nn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)nn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(OCC)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=Cc1cn(C2CCNCC2)nn1.
What is the InChIKey of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride?
The InChIKey is AJYITVRRQVMHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C25H27N5O2.C17H30N4O4.C14H20N4O2.C11H6BrNO.C11H21NO5S.C10H18N4O2.C8H12N4O.C7H12O2.C6H10O2.C5H6BrNO2.ClH/c1-25(10-3-11-25)24(33)29-12-8-15(9-13-29)30-14-20(27-28-30)22(31)17-6-7-19-21-16(17)4-2-5-18(21)23(32)26-19;1-25(10-3-11-25)24(32)29-12-8-18(9-13-29)30-15-17(27-28-30)14-16-6-7-21-22-19(16)4-2-5-20(22)23(31)26-21;1-6-23-15(24-7-2)14-12-21(19-18-14)13-8-10-20(11-9-13)16(22)25-17(3,4)5;1-14(5-2-6-14)13(20)17-7-3-12(4-8-17)18-9-11(10-19)15-16-18;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11;13-6-7-5-12(11-10-7)8-1-3-9-4-2-8;1-4-7(8-5-2)9-6-3;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h2,4-7,14-15,22,31H,3,8-13H2,1H3,(H,26,32);2,4-7,15,18H,3,8-14H2,1H3,(H,26,31);12-13,15H,6-11H2,1-5H3;9-10,12H,2-8H2,1H3;1-5H,(H,13,14);9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-6,8-9H,1-4H2;1,7H,5-6H2,2-3H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H.
What are the key properties of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride?
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride has a molecular weight of 2910.55 g/mol, XLogP of 21.87, 27 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-azidopiperidine-1-carboxylate;tert-butyl 4-[4-(diethoxymethyl)triazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;3,3-diethoxyprop-1-yne;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazole-4-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-yltriazole-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 167672656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).