tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C80H125N9O12 — CID 157320122

IUPACtert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cc1cccc2c3c([nH]c12)CCN(C(=O)OC(C)(C)C)C3.Cc1cccc2c3c([nH]c12)CCNC3.Cc1ccccc1NN
InChIInChI=1S/C17H22N2O2.C16H20N2O2.C12H14N2.C10H17NO3.C10H18O5.C7H10N2.4C2H6/c1-11-6-5-7-12-13-10-19(16(20)21-17(2,3)4)9-8-14(13)18-15(11)12;1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-6-4-2-3-5-7(6)9-8;4*1-2/h5-7,18H,8-10H2,1-4H3;4-7,17H,8-10H2,1-3H3;2-4,13-14H,5-7H2,1H3;4-7H2,1-3H3;1-6H3;2-5,9H,8H2,1H3;4*1-2H3
InChIKeyBEBGMOVIPBVFOF-UHFFFAOYSA-N
MW1404.93 g/mol
LogP19.20
Rot. Bonds1

About tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 157320122) has the molecular formula C80H125N9O12 and a molecular weight of 1404.93 g/mol. Its IUPAC name is tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Nametert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID157320122
Molecular FormulaC80H125N9O12
Molecular Weight1404.93 g/mol
Exact Mass1403.94
IUPAC Nametert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cc1cccc2c3c([nH]c12)CCN(C(=O)OC(C)(C)C)C3.Cc1cccc2c3c([nH]c12)CCNC3.Cc1ccccc1NN
InChIInChI=1S/C17H22N2O2.C16H20N2O2.C12H14N2.C10H17NO3.C10H18O5.C7H10N2.4C2H6/c1-11-6-5-7-12-13-10-19(16(20)21-17(2,3)4)9-8-14(13)18-15(11)12;1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-6-4-2-3-5-7(6)9-8;4*1-2/h5-7,18H,8-10H2,1-4H3;4-7,17H,8-10H2,1-3H3;2-4,13-14H,5-7H2,1H3;4-7H2,1-3H3;1-6H3;2-5,9H,8H2,1H3;4*1-2H3
InChIKeyBEBGMOVIPBVFOF-UHFFFAOYSA-N
XLogP19.20
TPSA264.97 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001404.93
LogP ≤ 519.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

tert-butyl 8-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;tert-butyl 8-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-oxopiperidine-1-carboxylate;8-fluoro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole;(2-fluorophenyl)hydrazine;8-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methane;dihydrochloride
CID 157488821
tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-3-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
CID 158477910
tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethane;phenylhydrazine;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158792055
tert-butyl 9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;tert-butyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methane;9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole;hydrochloride
CID 159081930
1-(4-aminopiperidin-1-yl)-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-1-one;tert-butyl N-[1-[3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoyl]piperidin-4-yl]carbamate;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoic acid
CID 159321200
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 159496766
tert-butyl 6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-oxopiperidine-1-carboxylate;6-fluoro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole;(4-fluorophenyl)hydrazine;6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;methane;dihydrochloride
CID 160105055
tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 5-tritio-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;ethane;5-tritio-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 160131446
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 8-(trideuteriomethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;8-(trideuteriomethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 160418071
tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 5-tritio-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;ethane;methane;5-tritio-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 160505980
tert-butyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;tert-butyl 9-tritio-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;ethane;9-tritio-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 161148712
bis(tert-butyl 4-oxopiperidine-1-carboxylate);tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;1-methyl-1-phenylhydrazine;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 162199018

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 157320122) is tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cc1cccc2c3c([nH]c12)CCN(C(=O)OC(C)(C)C)C3.Cc1cccc2c3c([nH]c12)CCNC3.Cc1ccccc1NN.
What is the InChIKey of tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is BEBGMOVIPBVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C16H20N2O2.C12H14N2.C10H17NO3.C10H18O5.C7H10N2.4C2H6/c1-11-6-5-7-12-13-10-19(16(20)21-17(2,3)4)9-8-14(13)18-15(11)12;1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-6-4-2-3-5-7(6)9-8;4*1-2/h5-7,18H,8-10H2,1-4H3;4-7,17H,8-10H2,1-3H3;2-4,13-14H,5-7H2,1H3;4-7H2,1-3H3;1-6H3;2-5,9H,8H2,1H3;4*1-2H3.
What are the key properties of tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 1404.93 g/mol, XLogP of 19.20, 1 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;ethane;(2-methylphenyl)hydrazine;6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157320122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).