2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one

C65H134N8O7 — CID 159197390

IUPAC2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C1NC(=O)CN(C(C)C)C1=O.CC(C)N1C(=O)C2(C(C)C)CCC1CC2.CC(C)N1CC(=O)N(C(C)C)CC1=O.CC(C)N1CCCCC1=O.CC(C)N1CCCN(C(C)C)C1=O
InChIInChI=1S/C13H23NO.2C10H18N2O2.C10H20N2O.C8H15NO.C4H10.5C2H6/c1-9(2)13-7-5-11(6-8-13)14(10(3)4)12(13)15;1-7(2)11-5-10(14)12(8(3)4)6-9(11)13;1-6(2)9-10(14)12(7(3)4)5-8(13)11-9;1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-7(2)9-6-4-3-5-8(9)10;1-4(2)3;5*1-2/h9-11H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3,(H,11,13);8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;4H,1-3H3;5*1-2H3
InChIKeyKOVLSIFZENDPSG-UHFFFAOYSA-N
MW1139.84 g/mol
LogP13.81
Rot. Bonds9

About 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one

2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one (PubChem CID 159197390) has the molecular formula C65H134N8O7 and a molecular weight of 1139.84 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one
PubChem CID159197390
Molecular FormulaC65H134N8O7
Molecular Weight1139.84 g/mol
Exact Mass1139.04
IUPAC Name2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C1NC(=O)CN(C(C)C)C1=O.CC(C)N1C(=O)C2(C(C)C)CCC1CC2.CC(C)N1CC(=O)N(C(C)C)CC1=O.CC(C)N1CCCCC1=O.CC(C)N1CCCN(C(C)C)C1=O
InChIInChI=1S/C13H23NO.2C10H18N2O2.C10H20N2O.C8H15NO.C4H10.5C2H6/c1-9(2)13-7-5-11(6-8-13)14(10(3)4)12(13)15;1-7(2)11-5-10(14)12(8(3)4)6-9(11)13;1-6(2)9-10(14)12(7(3)4)5-8(13)11-9;1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-7(2)9-6-4-3-5-8(9)10;1-4(2)3;5*1-2/h9-11H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3,(H,11,13);8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;4H,1-3H3;5*1-2H3
InChIKeyKOVLSIFZENDPSG-UHFFFAOYSA-N
XLogP13.81
TPSA154.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.84
LogP ≤ 513.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one with MolForge

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Related Compounds

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
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;N-[4-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]butyl]-5-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexanamide;2-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)octanamide;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54455585
36-N,37-N-bis(2-aminoethyl)-1,14,27,32,39,40,41,42-octazaoctacyclo[12.10.10.226,29.230,33.13,7.18,12.115,19.120,24]dotetracontane-36,37-dicarboxamide
CID 145782031
4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
CID 157444280
bis(1-(4-tert-butylcyclohexyl)-3,5-dimethylpiperidine);4-tert-butyl-N-cyclohexyl-N-methylpiperazine-1-carboxamide;bis(4-tert-butyl-N-cyclohexylpiperazine-1-carboxamide);1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine;1-(4-tert-butylpiperazin-1-yl)-2-cyclohexylethanone;1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidin-2-one;1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 157685941
1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione;2-methylpropan-2-amine
CID 158084486
N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 158504162
1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione
CID 159242312
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 159868786
N-(1-acetylpiperidin-4-yl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-1-cyclohexylpiperidine;4-tert-butyl-1-cyclopentylpiperidine;4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;(4-tert-butylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone;4-tert-butyl-1-(piperidin-4-ylmethyl)piperidine;4-tert-butyl-N-(piperidin-4-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-piperidin-4-ylpiperidine-1-carboxamide;1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;4-tert-butyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 160136254
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 160418137
bis(1-(4-tert-butylcyclohexyl)-3,5-dimethylpiperidine);4-tert-butyl-N-cyclohexyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-cyclohexylpiperazine-1-carboxamide;1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine;1-(4-tert-butylpiperazin-1-yl)-2-cyclohexylethanone;1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidin-2-one;1-(1-tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine;N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 160855947

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one?
The IUPAC name of 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one (CID 159197390) is 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one is CC.CC.CC.CC.CC.CC(C)C.CC(C)C1NC(=O)CN(C(C)C)C1=O.CC(C)N1C(=O)C2(C(C)C)CCC1CC2.CC(C)N1CC(=O)N(C(C)C)CC1=O.CC(C)N1CCCCC1=O.CC(C)N1CCCN(C(C)C)C1=O.
What is the InChIKey of 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one?
The InChIKey is KOVLSIFZENDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.2C10H18N2O2.C10H20N2O.C8H15NO.C4H10.5C2H6/c1-9(2)13-7-5-11(6-8-13)14(10(3)4)12(13)15;1-7(2)11-5-10(14)12(8(3)4)6-9(11)13;1-6(2)9-10(14)12(7(3)4)5-8(13)11-9;1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-7(2)9-6-4-3-5-8(9)10;1-4(2)3;5*1-2/h9-11H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3,(H,11,13);8-9H,5-7H2,1-4H3;7H,3-6H2,1-2H3;4H,1-3H3;5*1-2H3.
What are the key properties of 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one?
2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one has a molecular weight of 1139.84 g/mol, XLogP of 13.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 159197390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).