3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C86H168N8O14 — CID 158665304

About 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 158665304) has the molecular formula C86H168N8O14 and a molecular weight of 1538.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 158665304
• Molecular Formula: C86H168N8O14
• Molecular Weight: 1538.33 g/mol
• Exact Mass: 1537.27
• IUPAC Name: 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
• SMILES: C.C.C.CC(C)(C)CC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCCC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(NC(=O)C(C)(C)C)CC1.CC(C)N1CCN(C(=O)COC(C)(C)C)CC1.CC(C)OCC(=O)N1CCC(NC(=O)CCCC(C)(C)C)CC1
• InChI: InChI=1S/C19H35NO3.C18H34N2O3.C17H31NO3.C16H30N2O3.C13H26N2O2.3CH4/c1-18(2,3)11-7-8-16(21)15-9-12-20(13-10-15)17(22)14-23-19(4,5)6;1-14(2)23-13-17(22)20-11-8-15(9-12-20)19-16(21)7-6-10-18(3,4)5;1-16(2,3)11-14(19)13-7-9-18(10-8-13)15(20)12-21-17(4,5)6;1-15(2,3)14(20)17-12-7-9-18(10-8-12)13(19)11-21-16(4,5)6;1-11(2)14-6-8-15(9-7-14)12(16)10-17-13(3,4)5;;;/h15H,7-14H2,1-6H3;14-15H,6-13H2,1-5H3,(H,19,21);13H,7-12H2,1-6H3;12H,7-11H2,1-6H3,(H,17,20);11H,6-10H2,1-5H3;3*1H4
• InChIKey: IDGSUKZZAMNUHB-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 243.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.33
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?

The IUPAC name of 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 158665304) is 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

What is the SMILES notation for 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?

The canonical SMILES for 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is C.C.C.CC(C)(C)CC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCCC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(NC(=O)C(C)(C)C)CC1.CC(C)N1CCN(C(=O)COC(C)(C)C)CC1.CC(C)OCC(=O)N1CCC(NC(=O)CCCC(C)(C)C)CC1.

What is the InChIKey of 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?

The InChIKey is IDGSUKZZAMNUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3.C18H34N2O3.C17H31NO3.C16H30N2O3.C13H26N2O2.3CH4/c1-18(2,3)11-7-8-16(21)15-9-12-20(13-10-15)17(22)14-23-19(4,5)6;1-14(2)23-13-17(22)20-11-8-15(9-12-20)19-16(21)7-6-10-18(3,4)5;1-16(2,3)11-14(19)13-7-9-18(10-8-13)15(20)12-21-17(4,5)6;1-15(2,3)14(20)17-12-7-9-18(10-8-12)13(19)11-21-16(4,5)6;1-11(2)14-6-8-15(9-7-14)12(16)10-17-13(3,4)5;;;/h15H,7-14H2,1-6H3;14-15H,6-13H2,1-5H3,(H,19,21);13H,7-12H2,1-6H3;12H,7-11H2,1-6H3,(H,17,20);11H,6-10H2,1-5H3;3*1H4.

What are the key properties of 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?

3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1538.33 g/mol, XLogP of 14.82, 23 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158665304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).