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

C74H114N10O8 — CID 162199018

About 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

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 (PubChem CID 162199018) has the molecular formula C74H114N10O8 and a molecular weight of 1271.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162199018
• Molecular Formula: C74H114N10O8
• Molecular Weight: 1271.79 g/mol
• Exact Mass: 1270.88
• IUPAC Name: 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
• SMILES: CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.CN(N)c1ccccc1.Cn1c2c(c3ccccc31)CNCC2.c1ccc2c3c([nH]c2c1)CCNC3
• InChI: InChI=1S/C16H20N2O2.C12H14N2.C11H12N2.2C10H17NO3.C7H10N2.4C2H6/c1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-9(8)7-5-3-2-4-6-7;4*1-2/h4-7,17H,8-10H2,1-3H3;2-5,13H,6-8H2,1H3;1-4,12-13H,5-7H2;2*4-7H2,1-3H3;2-6H,8H2,1H3;4*1-2H3
• InChIKey: ZRIGTVSNDBQZCS-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 212.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 1
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.79
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.CN(N)c1ccccc1.Cn1c2c(c3ccccc31)CNCC2.c1ccc2c3c([nH]c2c1)CCNC3.

What is the InChIKey of 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?

The InChIKey is ZRIGTVSNDBQZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C12H14N2.C11H12N2.2C10H17NO3.C7H10N2.4C2H6/c1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-9(8)7-5-3-2-4-6-7;4*1-2/h4-7,17H,8-10H2,1-3H3;2-5,13H,6-8H2,1H3;1-4,12-13H,5-7H2;2*4-7H2,1-3H3;2-6H,8H2,1H3;4*1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1271.79 g/mol, XLogP of 15.37, 1 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162199018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).