5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide

C82H142I4N14O16 — CID 162190610

About 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide

5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide (PubChem CID 162190610) has the molecular formula C82H142I4N14O16 and a molecular weight of 2099.73 g/mol. Its IUPAC name is 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide.

Molecular Properties

• Compound Name: 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide
• PubChem CID: 162190610
• Molecular Formula: C82H142I4N14O16
• Molecular Weight: 2099.73 g/mol
• Exact Mass: 2098.71
• IUPAC Name: 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide
• SMILES: CC([15NH]C(=O)C(C)[15NH]C(=O)C[15N]1C(C)CCCC1C)C(=O)NCCCC(=O)CI.[2H]C(C)(NC(=O)C([2H])([2H])N1C(C)CCCC1C)C(=O)CC(C)C(=O)NCCCC(=O)CI.[2H]C(C)(NC(=O)C[15N]1C(C)CCCC1C)C(=O)[15NH]C(C)C(=O)NCCCC(=O)CI.[2H]C([2H])(C(=O)[15NH]C(C)C(=O)CC(C)C(=O)NCCCC(=O)CI)N1C(C)CCCC1C
• InChI: InChI=1S/2C21H36IN3O4.2C20H35IN4O4/c2*1-14(21(29)23-10-6-9-18(26)12-22)11-19(27)17(4)24-20(28)13-25-15(2)7-5-8-16(25)3;2*1-13-7-5-8-14(2)25(13)12-18(27)23-16(4)20(29)24-15(3)19(28)22-10-6-9-17(26)11-21/h2*14-17H,5-13H2,1-4H3,(H,23,29)(H,24,28);2*13-16H,5-12H2,1-4H3,(H,22,28)(H,23,27)(H,24,29)/i13D2,24+1;13D2,17D;23+1,24+1,25+1;16D,24+1,25+1
• InChIKey: ZQGDGMHYGQGNQH-FTLDYJRXSA-N
• XLogP: 6.82
• TPSA: 406.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.73
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide?

The IUPAC name of 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide (CID 162190610) is 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide.

What is the SMILES notation for 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide?

The canonical SMILES for 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide is CC([15NH]C(=O)C(C)[15NH]C(=O)C[15N]1C(C)CCCC1C)C(=O)NCCCC(=O)CI.[2H]C(C)(NC(=O)C([2H])([2H])N1C(C)CCCC1C)C(=O)CC(C)C(=O)NCCCC(=O)CI.[2H]C(C)(NC(=O)C[15N]1C(C)CCCC1C)C(=O)[15NH]C(C)C(=O)NCCCC(=O)CI.[2H]C([2H])(C(=O)[15NH]C(C)C(=O)CC(C)C(=O)NCCCC(=O)CI)N1C(C)CCCC1C.

What is the InChIKey of 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide?

The InChIKey is ZQGDGMHYGQGNQH-FTLDYJRXSA-N. The full InChI is InChI=1S/2C21H36IN3O4.2C20H35IN4O4/c2*1-14(21(29)23-10-6-9-18(26)12-22)11-19(27)17(4)24-20(28)13-25-15(2)7-5-8-16(25)3;2*1-13-7-5-8-14(2)25(13)12-18(27)23-16(4)20(29)24-15(3)19(28)22-10-6-9-17(26)11-21/h2*14-17H,5-13H2,1-4H3,(H,23,29)(H,24,28);2*13-16H,5-12H2,1-4H3,(H,22,28)(H,23,27)(H,24,29)/i13D2,24+1;13D2,17D;23+1,24+1,25+1;16D,24+1,25+1.

What are the key properties of 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide?

5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide has a molecular weight of 2099.73 g/mol, XLogP of 6.82, 46 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide is sourced from PubChem (CID 162190610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).