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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide

C140H273N13O14S2 — CID 158749537

About 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide (PubChem CID 158749537) has the molecular formula C140H273N13O14S2 and a molecular weight of 2426.93 g/mol. Its IUPAC name is 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide
• PubChem CID: 158749537
• Molecular Formula: C140H273N13O14S2
• Molecular Weight: 2426.93 g/mol
• Exact Mass: 2425.05
• IUPAC Name: 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide
• SMILES: CC(C)(C)CC(=O)CN1CCC(C(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)NC1CCN(C(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)OCC(=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
• InChI: InChI=1S/C18H34N2O3.C18H34N2O2S.C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C13H28N2/c2*1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;4*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h2*14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;4*12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3
• InChIKey: INHKXORUFHFJJY-UHFFFAOYSA-N
• XLogP: 28.01
• TPSA: 284.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.93
LogP ≤ 5	28.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide?

The IUPAC name of 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide (CID 158749537) is 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide.

What is the SMILES notation for 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide?

The canonical SMILES for 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide is CC(C)(C)CC(=O)CN1CCC(C(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)NC1CCN(C(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)OCC(=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.

What is the InChIKey of 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide?

The InChIKey is INHKXORUFHFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3.C18H34N2O2S.C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C13H28N2/c2*1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;4*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h2*14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;4*12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3.

What are the key properties of 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide has a molecular weight of 2426.93 g/mol, XLogP of 28.01, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-4,4-dimethylpentan-2-one;tris(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,1-ditert-butylpiperidin-4-amine;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 158749537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).