tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)

C86H110N16O11 — CID 158193499

About tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)

tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine) (PubChem CID 158193499) has the molecular formula C86H110N16O11 and a molecular weight of 1543.93 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine).

Molecular Properties

• Compound Name: tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)
• PubChem CID: 158193499
• Molecular Formula: C86H110N16O11
• Molecular Weight: 1543.93 g/mol
• Exact Mass: 1542.85
• IUPAC Name: tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)
• SMILES: CC(C)(C)OC(=O)N1CCCCC1c1cc2cc(N)ccc2[nH]1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.Nc1ccc2[nH]c(C3CCCCN3)cc2c1.Nc1ccc2[nH]c(C3CCCCN3)cc2c1.O=[N+]([O-])c1ccc2[nH]c(-c3ccccn3)cc2c1.O=[N+]([O-])c1ccc2[nH]c(-c3ccccn3)cc2c1
• InChI: InChI=1S/C18H25N3O2.2C13H9N3O2.2C13H17N3.C10H18O5.C6H15N/c1-18(2,3)23-17(22)21-9-5-4-6-16(21)15-11-12-10-13(19)7-8-14(12)20-15;2*17-16(18)10-4-5-11-9(7-10)8-13(15-11)12-3-1-2-6-14-12;2*14-10-4-5-11-9(7-10)8-13(16-11)12-3-1-2-6-15-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-4-7(5-2)6-3/h7-8,10-11,16,20H,4-6,9,19H2,1-3H3;2*1-8,15H;2*4-5,7-8,12,15-16H,1-3,6,14H2;1-6H3;4-6H2,1-3H3
• InChIKey: GABAKVJQXJMLFK-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 387.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1543.93
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)?

The IUPAC name of tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine) (CID 158193499) is tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine).

What is the SMILES notation for tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)?

The canonical SMILES for tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine) is CC(C)(C)OC(=O)N1CCCCC1c1cc2cc(N)ccc2[nH]1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.Nc1ccc2[nH]c(C3CCCCN3)cc2c1.Nc1ccc2[nH]c(C3CCCCN3)cc2c1.O=[N+]([O-])c1ccc2[nH]c(-c3ccccn3)cc2c1.O=[N+]([O-])c1ccc2[nH]c(-c3ccccn3)cc2c1.

What is the InChIKey of tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)?

The InChIKey is GABAKVJQXJMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2C13H9N3O2.2C13H17N3.C10H18O5.C6H15N/c1-18(2,3)23-17(22)21-9-5-4-6-16(21)15-11-12-10-13(19)7-8-14(12)20-15;2*17-16(18)10-4-5-11-9(7-10)8-13(15-11)12-3-1-2-6-14-12;2*14-10-4-5-11-9(7-10)8-13(16-11)12-3-1-2-6-15-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-4-7(5-2)6-3/h7-8,10-11,16,20H,4-6,9,19H2,1-3H3;2*1-8,15H;2*4-5,7-8,12,15-16H,1-3,6,14H2;1-6H3;4-6H2,1-3H3.

What are the key properties of tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine)?

tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine) has a molecular weight of 1543.93 g/mol, XLogP of 19.84, 10 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;bis(5-nitro-2-pyridin-2-yl-1H-indole);bis(2-piperidin-2-yl-1H-indol-5-amine) is sourced from PubChem (CID 158193499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).