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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide

C136H267N13O12S2 — CID 157474836

IUPAC2-(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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide
SMILESCC(C)(C)CC(=O)CN1CCC(C(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.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2S.C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-17(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;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;4*12H,7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;;;;;;;12-;/m.......0./s1
InChIKeyBVLWEQUNVSNMIH-XWMMBCFZSA-N
MW2340.84 g/mol
LogP27.83
Rot. Bonds23

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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide

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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide (PubChem CID 157474836) has the molecular formula C136H267N13O12S2 and a molecular weight of 2340.84 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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name2-(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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide
PubChem CID157474836
Molecular FormulaC136H267N13O12S2
Molecular Weight2340.84 g/mol
Exact Mass2339.01
IUPAC Name2-(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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide
SMILESCC(C)(C)CC(=O)CN1CCC(C(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.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2S.C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-17(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;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;4*12H,7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;;;;;;;12-;/m.......0./s1
InChIKeyBVLWEQUNVSNMIH-XWMMBCFZSA-N
XLogP27.83
TPSA258.60 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002340.84
LogP ≤ 527.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide with MolForge

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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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide?
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide (CID 157474836) 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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide.
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide?
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide is CC(C)(C)CC(=O)CN1CCC(C(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.CC(C)N1CC[C@H](NC(=O)CCC(C)(C)C)C1.
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide?
The InChIKey is BVLWEQUNVSNMIH-XWMMBCFZSA-N. The full InChI is InChI=1S/C18H34N2O2S.C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-17(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;1-11(2)16-9-7-12(10-16)15-13(17)6-8-14(3,4)5;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;12,16H,7-11H2,1-6H3;4*12H,7-11H2,1-6H3;11-12H,6-10H2,1-5H3,(H,15,17);11,14H,7-10H2,1-6H3/t;;;;;;;12-;/m.......0./s1.
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide?
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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide has a molecular weight of 2340.84 g/mol, XLogP of 27.83, 23 rotatable bonds, 4 hydrogen bond donors, and 19 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;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 157474836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).