1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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

C126H247N15O13S2 — CID 159136949

About 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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

1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 159136949) has the molecular formula C126H247N15O13S2 and a molecular weight of 2244.59 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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: 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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: 159136949
• Molecular Formula: C126H247N15O13S2
• Molecular Weight: 2244.59 g/mol
• Exact Mass: 2242.86
• IUPAC Name: 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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)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)NC1CCN(C(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCN(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/C18H35N3O2.C18H34N2O3.C18H34N2O2S.2C15H29NO2.C15H29NOS.C14H29N3O.C13H28N2/c1-17(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;3*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-13(2,3)15-11-12(18)16-7-9-17(10-8-16)14(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h14,20H,7-13H2,1-6H3,(H,19,23);2*14H,7-13H2,1-6H3,(H,19,22);3*12H,7-11H2,1-6H3;15H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3
• InChIKey: KHPNXWVAIPNIGY-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 299.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.59
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 159136949) is 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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)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)NC1CCN(C(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCN(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 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 KHPNXWVAIPNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.C18H34N2O3.C18H34N2O2S.2C15H29NO2.C15H29NOS.C14H29N3O.C13H28N2/c1-17(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;3*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-13(2,3)15-11-12(18)16-7-9-17(10-8-16)14(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h14,20H,7-13H2,1-6H3,(H,19,23);2*14H,7-13H2,1-6H3,(H,19,22);3*12H,7-11H2,1-6H3;15H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3.

What are the key properties of 1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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?

1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;2-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 2244.59 g/mol, XLogP of 22.00, 24 rotatable bonds, 6 hydrogen bond donors, and 20 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-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;bis(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 159136949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).