tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide

C108H134F5IN18O15S2Si — CID 161113061

About tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide

tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide (PubChem CID 161113061) has the molecular formula C108H134F5IN18O15S2Si and a molecular weight of 2238.48 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide.

Molecular Properties

• Compound Name: tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide
• PubChem CID: 161113061
• Molecular Formula: C108H134F5IN18O15S2Si
• Molecular Weight: 2238.48 g/mol
• Exact Mass: 2236.85
• IUPAC Name: tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide
• SMILES: CC(C)(C)OC(=O)N1CC=C(O[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CN1CC=C(c2c[nH]c3ccc(N)cc23)C(F)C1.CN1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)C1.I.O=[N+]([O-])c1ccc2[nH]cc(C3=CCNCC3F)c2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3F)c2c1)c1cccs1.[H]/N=C(\C)c1cccs1
• InChI: InChI=1S/C20H20FN3S.C14H14FN3O2.C14H16FN3.C13H12FN3O2.C13H25NO3Si.C10H16FNO3.C10H17NO3.C8H6N2O2.C6H7NS.HI/c1-24-7-6-14(17(21)12-24)16-11-23-19-5-4-13(9-15(16)19)10-18(22)20-3-2-8-25-20;1-17-5-4-10(13(15)8-17)12-7-16-14-3-2-9(18(19)20)6-11(12)14;1-18-5-4-10(13(15)8-18)12-7-17-14-3-2-9(16)6-11(12)14;14-12-7-15-4-3-9(12)11-6-16-13-2-1-8(17(18)19)5-10(11)13;1-13(2,3)16-12(15)14-9-7-11(8-10-14)17-18(4,5)6;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-5(7)6-3-2-4-8-6;/h2-6,8-9,11,17,22-23H,7,10,12H2,1H3;2-4,6-7,13,16H,5,8H2,1H3;2-4,6-7,13,17H,5,8,16H2,1H3;1-3,5-6,12,15-16H,4,7H2;7H,8-10H2,1-6H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;1-5,9H;2-4,7H,1H3;1H/b22-18-;;;;;;;;7-5+
• InChIKey: DGPJWCOOKYGEAW-WWFSJMOBSA-N
• XLogP: 23.38
• TPSA: 435.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.48
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide?

The IUPAC name of tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide (CID 161113061) is tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide.

What is the SMILES notation for tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide?

The canonical SMILES for tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide is CC(C)(C)OC(=O)N1CC=C(O[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(=O)C(F)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CN1CC=C(c2c[nH]c3ccc(N)cc23)C(F)C1.CN1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)C1.I.O=[N+]([O-])c1ccc2[nH]cc(C3=CCNCC3F)c2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3F)c2c1)c1cccs1.[H]/N=C(\C)c1cccs1.

What is the InChIKey of tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide?

The InChIKey is DGPJWCOOKYGEAW-WWFSJMOBSA-N. The full InChI is InChI=1S/C20H20FN3S.C14H14FN3O2.C14H16FN3.C13H12FN3O2.C13H25NO3Si.C10H16FNO3.C10H17NO3.C8H6N2O2.C6H7NS.HI/c1-24-7-6-14(17(21)12-24)16-11-23-19-5-4-13(9-15(16)19)10-18(22)20-3-2-8-25-20;1-17-5-4-10(13(15)8-17)12-7-16-14-3-2-9(18(19)20)6-11(12)14;1-18-5-4-10(13(15)8-18)12-7-17-14-3-2-9(16)6-11(12)14;14-12-7-15-4-3-9(12)11-6-16-13-2-1-8(17(18)19)5-10(11)13;1-13(2,3)16-12(15)14-9-7-11(8-10-14)17-18(4,5)6;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-5(7)6-3-2-4-8-6;/h2-6,8-9,11,17,22-23H,7,10,12H2,1H3;2-4,6-7,13,16H,5,8H2,1H3;2-4,6-7,13,17H,5,8,16H2,1H3;1-3,5-6,12,15-16H,4,7H2;7H,8-10H2,1-6H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;1-5,9H;2-4,7H,1H3;1H/b22-18-;;;;;;;;7-5+;.

What are the key properties of tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide?

tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide has a molecular weight of 2238.48 g/mol, XLogP of 23.38, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;3-(3-fluoro-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-indole;5-nitro-1H-indole;1-thiophen-2-ylethanimine;hydroiodide is sourced from PubChem (CID 161113061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).