2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate

C32H52N6O10 — CID 158005257

About 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate

2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate (PubChem CID 158005257) has the molecular formula C32H52N6O10 and a molecular weight of 690.73 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate
• PubChem CID: 158005257
• Molecular Formula: C32H52N6O10
• Molecular Weight: 690.73 g/mol
• Exact Mass: 690.40
• IUPAC Name: 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate
• SMILES: CC1CCCC(C)N1C[13C](=O)[15NH][13CH3].[13CH3][13CH]1CCC[13CH]([13CH3])[15N]1CC(=O)NCCC(=O)ON1C(=O)CCC1=O.[13CH3][13C](=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C16H25N3O5.C10H20N2O.C6H7NO4/c1-11-4-3-5-12(2)18(11)10-13(20)17-9-8-16(23)24-19-14(21)6-7-15(19)22;1-8-5-4-6-9(2)12(8)7-10(13)11-3;1-4(8)11-7-5(9)2-3-6(7)10/h11-12H,3-10H2,1-2H3,(H,17,20);8-9H,4-7H2,1-3H3,(H,11,13);2-3H2,1H3/i1+1,2+1,11+1,12+1,18+1;3+1,10+1,11+1;1+1,4+1
• InChIKey: FEFGGDBWOFKDKQ-XUAKLOSXSA-N
• XLogP: 0.97
• TPSA: 192.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.73
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate?

The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate (CID 158005257) is 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate.

What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate?

The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate is CC1CCCC(C)N1C[13C](=O)[15NH][13CH3].[13CH3][13CH]1CCC[13CH]([13CH3])[15N]1CC(=O)NCCC(=O)ON1C(=O)CCC1=O.[13CH3][13C](=O)ON1C(=O)CCC1=O.

What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate?

The InChIKey is FEFGGDBWOFKDKQ-XUAKLOSXSA-N. The full InChI is InChI=1S/C16H25N3O5.C10H20N2O.C6H7NO4/c1-11-4-3-5-12(2)18(11)10-13(20)17-9-8-16(23)24-19-14(21)6-7-15(19)22;1-8-5-4-6-9(2)12(8)7-10(13)11-3;1-4(8)11-7-5(9)2-3-6(7)10/h11-12H,3-10H2,1-2H3,(H,17,20);8-9H,4-7H2,1-3H3,(H,11,13);2-3H2,1H3/i1+1,2+1,11+1,12+1,18+1;3+1,10+1,11+1;1+1,4+1.

What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate?

2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate has a molecular weight of 690.73 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate is sourced from PubChem (CID 158005257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).