1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one

C153H291N15O19S2 — CID 158073585

About 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one

1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one (PubChem CID 158073585) has the molecular formula C153H291N15O19S2 and a molecular weight of 2709.23 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one.

Molecular Properties

• Compound Name: 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one
• PubChem CID: 158073585
• Molecular Formula: C153H291N15O19S2
• Molecular Weight: 2709.23 g/mol
• Exact Mass: 2707.17
• IUPAC Name: 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one
• SMILES: CC(C)(C)CC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CCC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CNC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)SCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)OCC(=O)N1CCC(C(=O)CCCC(C)(C)C)CC1
• InChI: InChI=1S/C19H36N2O2.C18H35N3O2.C18H34N2O3.C18H34N2O2S.C18H33NO3.C17H31NO3.C15H30N2O.C15H29NO2.C15H29NOS/c1-18(2,3)10-7-16(22)21-13-8-15(9-14-21)17(23)20-12-11-19(4,5)6;1-17(2,3)9-10-19-16(23)14-7-11-21(12-8-14)15(22)13-20-18(4,5)6;2*1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-14(2)22-13-17(21)19-11-8-15(9-12-19)16(20)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;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6/h15H,7-14H2,1-6H3,(H,20,23);14,20H,7-13H2,1-6H3,(H,19,23);2*14H,7-13H2,1-6H3,(H,19,22);14-15H,6-13H2,1-5H3;13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;2*12H,7-11H2,1-6H3
• InChIKey: FMCIIYWWSICBTE-UHFFFAOYSA-N
• XLogP: 27.70
• TPSA: 394.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.23
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one?

The IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one (CID 158073585) is 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one.

What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one?

The canonical SMILES for 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one is CC(C)(C)CC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CCC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CNC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)COC(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)SCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)OCC(=O)N1CCC(C(=O)CCCC(C)(C)C)CC1.

What is the InChIKey of 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one?

The InChIKey is FMCIIYWWSICBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2.C18H35N3O2.C18H34N2O3.C18H34N2O2S.C18H33NO3.C17H31NO3.C15H30N2O.C15H29NO2.C15H29NOS/c1-18(2,3)10-7-16(22)21-13-8-15(9-14-21)17(23)20-12-11-19(4,5)6;1-17(2,3)9-10-19-16(23)14-7-11-21(12-8-14)15(22)13-20-18(4,5)6;2*1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-14(2)22-13-17(21)19-11-8-15(9-12-19)16(20)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;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6/h15H,7-14H2,1-6H3,(H,20,23);14,20H,7-13H2,1-6H3,(H,19,23);2*14H,7-13H2,1-6H3,(H,19,22);14-15H,6-13H2,1-5H3;13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;2*12H,7-11H2,1-6H3.

What are the key properties of 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one?

1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one has a molecular weight of 2709.23 g/mol, XLogP of 27.70, 37 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one is sourced from PubChem (CID 158073585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).