2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate

C122H213N9O21 — CID 161412995

About 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate

2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate (PubChem CID 161412995) has the molecular formula C122H213N9O21 and a molecular weight of 2142.09 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate
• PubChem CID: 161412995
• Molecular Formula: C122H213N9O21
• Molecular Weight: 2142.09 g/mol
• Exact Mass: 2140.59
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate
• SMILES: C.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)N1CCCC1=O)C12CC3CC(CC(C3)C1)C2.CC(C)(OC(=O)N1CCCCC1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)N1CCCCC1.CCC1(OC(=O)N2CCCC2=O)CCCCC1
• InChI: InChI=1S/C18H27NO3.C17H27NO2.C15H27NO2.C13H21NO3.C13H23NO2.C13H25NO2.C11H19NO3.C11H21NO2.C10H19NO2.CH4/c1-17(2,22-16(21)19-5-3-4-15(19)20)18-9-12-6-13(10-18)8-14(7-12)11-18;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16;1-2-13(8-4-3-5-9-13)17-12(16)14-10-6-7-11(14)15;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-4-13(5-2,6-3)16-12(15)14-10-8-7-9-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h12-14H,3-11H2,1-2H3;12-15H,2-11H2,1H3;13H,3-12H2,1-2H3;2-10H2,1H3;2-11H2,1H3;4-11H2,1-3H3;8H,5-7H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;1H4
• InChIKey: VVSLNILJQLULQJ-UHFFFAOYSA-N
• XLogP: 29.32
• TPSA: 317.07 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.09
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate (CID 161412995) is 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate is C.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)N1CCCC1=O)C12CC3CC(CC(C3)C1)C2.CC(C)(OC(=O)N1CCCCC1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)N1CCCCC1.CCC1(OC(=O)N2CCCC2=O)CCCCC1.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate?

The InChIKey is VVSLNILJQLULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.C17H27NO2.C15H27NO2.C13H21NO3.C13H23NO2.C13H25NO2.C11H19NO3.C11H21NO2.C10H19NO2.CH4/c1-17(2,22-16(21)19-5-3-4-15(19)20)18-9-12-6-13(10-18)8-14(7-12)11-18;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16;1-2-13(8-4-3-5-9-13)17-12(16)14-10-6-7-11(14)15;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-4-13(5-2,6-3)16-12(15)14-10-8-7-9-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h12-14H,3-11H2,1-2H3;12-15H,2-11H2,1H3;13H,3-12H2,1-2H3;2-10H2,1H3;2-11H2,1H3;4-11H2,1-3H3;8H,5-7H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;1H4.

What are the key properties of 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate?

2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate has a molecular weight of 2142.09 g/mol, XLogP of 29.32, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 2-oxopyrrolidine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;methane;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate is sourced from PubChem (CID 161412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).