1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide

C101H202N18O9 — CID 165042213

IUPAC1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide
SMILESCC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)NC1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/4C12H24N2O.3C11H22N2O.2C10H20N2O/c2*1-10(15)13(5)11-6-8-14(9-7-11)12(2,3)4;1-5-11(15)13-10-6-8-14(9-7-10)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;2*1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*11H,6-9H2,1-5H3;10H,5-9H2,1-4H3,(H,13,15);5-10H2,1-4H3;2*10H,5-8H2,1-4H3,(H,12,14);5-9H2,1-4H3;2*5-8H2,1-4H3
InChIKeyOHOOYZYWFIURAF-UHFFFAOYSA-N
MW1812.84 g/mol
LogP12.97
Rot. Bonds9

About 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide

1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide (PubChem CID 165042213) has the molecular formula C101H202N18O9 and a molecular weight of 1812.84 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide
PubChem CID165042213
Molecular FormulaC101H202N18O9
Molecular Weight1812.84 g/mol
Exact Mass1811.59
IUPAC Name1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide
SMILESCC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)NC1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/4C12H24N2O.3C11H22N2O.2C10H20N2O/c2*1-10(15)13(5)11-6-8-14(9-7-11)12(2,3)4;1-5-11(15)13-10-6-8-14(9-7-10)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;2*1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*11H,6-9H2,1-5H3;10H,5-9H2,1-4H3,(H,13,15);5-10H2,1-4H3;2*10H,5-8H2,1-4H3,(H,12,14);5-9H2,1-4H3;2*5-8H2,1-4H3
InChIKeyOHOOYZYWFIURAF-UHFFFAOYSA-N
XLogP12.97
TPSA238.32 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.84
LogP ≤ 512.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide with MolForge

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Related Compounds

4-[2-(3,5-Dioxopiperazin-1-yl)butyl]piperazine-2,6-dione;4-[3-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;3-methyl-4-[2-(2-methyl-3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
CID 21657814
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91516904
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide
CID 157080063
N-(1-tert-butylpiperidin-4-yl)acetamide;N-(1-tert-butylpiperidin-4-yl)cyclopropanecarboxamide;N-(1-tert-butylpiperidin-4-yl)formamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylcyclopropanecarboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;N-(1-tert-butylpiperidin-4-yl)-N-methylpropanamide;N-(1-tert-butylpiperidin-4-yl)propanamide
CID 157417289
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-(propan-2-ylamino)piperidine-4-carboxamide;1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 157734997
4-acetyl-N-tert-butylpiperazine-1-carboxamide;1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 157894964
Tris(1-tert-butyl-4-methylpiperazine);1-tert-butylpiperazine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
CID 158255635
1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 158354433
Methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
CID 158412801
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158534491
1-tert-butyl-N,N-dimethylpiperidin-3-amine;N-(1-tert-butylpiperidin-4-yl)acetamide;N-(1-tert-butylpiperidin-4-yl)cyclopropanecarboxamide;N-(1-tert-butylpiperidin-4-yl)formamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylcyclopropanecarboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;N-(1-tert-butylpiperidin-4-yl)-N-methylpropanamide;N-(1-tert-butylpiperidin-4-yl)propanamide
CID 158606775

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide (CID 165042213) is 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide is CC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N(C)C1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCC(=O)NC1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide?
The InChIKey is OHOOYZYWFIURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H24N2O.3C11H22N2O.2C10H20N2O/c2*1-10(15)13(5)11-6-8-14(9-7-11)12(2,3)4;1-5-11(15)13-10-6-8-14(9-7-10)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;2*1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*11H,6-9H2,1-5H3;10H,5-9H2,1-4H3,(H,13,15);5-10H2,1-4H3;2*10H,5-8H2,1-4H3,(H,12,14);5-9H2,1-4H3;2*5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide?
1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide has a molecular weight of 1812.84 g/mol, XLogP of 12.97, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)butan-1-one;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)propan-1-one;bis(N-(1-tert-butylpiperidin-4-yl)acetamide);bis(N-(1-tert-butylpiperidin-4-yl)-N-methylacetamide);N-(1-tert-butylpiperidin-4-yl)propanamide is sourced from PubChem (CID 165042213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).