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

C118H233N11O10S — CID 159785482

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);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)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/C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-15(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/h13H,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
InChIKeyNHWWDVHNDWXYJN-BDFLWCJBSA-N
MW1998.30 g/mol
LogP24.52
Rot. Bonds18

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);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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide (PubChem CID 159785482) has the molecular formula C118H233N11O10S and a molecular weight of 1998.30 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);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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide
PubChem CID159785482
Molecular FormulaC118H233N11O10S
Molecular Weight1998.30 g/mol
Exact Mass1996.78
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);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)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/C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-15(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/h13H,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
InChIKeyNHWWDVHNDWXYJN-BDFLWCJBSA-N
XLogP24.52
TPSA209.19 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.30
LogP ≤ 524.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

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);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);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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide (CID 159785482) 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);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);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);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)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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide?
The InChIKey is NHWWDVHNDWXYJN-BDFLWCJBSA-N. The full InChI is InChI=1S/C16H31NO.C15H30N2O.3C15H29NO2.C15H29NOS.C14H28N2O.C13H28N2/c1-15(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/h13H,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);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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide has a molecular weight of 1998.30 g/mol, XLogP of 24.52, 18 rotatable bonds, 3 hydrogen bond donors, and 16 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);N,1-ditert-butylpiperidin-4-amine;4,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 159785482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).