1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine

C200H366FN29O24S — CID 159031254

IUPAC1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine
SMILESCC(C)CC(=O)C12CCN(CC1)CC2.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(C2COC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)C1CCNCC1.CC(C)CC(=O)CC1CCNCC1.CC(C)CC(=O)CCCN1CCOCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)c1ccncc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1cnc[nH]1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccncn1.CC(C)N.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)OCCN1CCOCC1.CC(C)Sc1nncn1C
InChIInChI=1S/C15H27NO2.C13H23NO2.C12H22FNO.C12H23NO2.C12H21NO.C11H21NO2.2C11H21NO.C10H19NO2.C10H19NO.C10H13NO.C9H14N2O.C9H19NO2.2C8H12N2O.C8H12N2.C7H11N3O.C7H15NO.C6H11N3S.C5H13N.C3H9N.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-10(2)7-13(15)11-3-5-14(6-4-11)12-8-16-9-12;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-11(2)10-12(14)4-3-5-13-6-8-15-9-7-13;1-10(2)9-11(14)12-3-6-13(7-4-12)8-5-12;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-9(2)7-10(12)8-11-3-5-13-6-4-11;2*1-8(2)7-10(12)9-3-5-11-6-4-9;1-7(2)4-9(12)8-5-11(3)6-10-8;1-9(2)12-8-5-10-3-6-11-7-4-10;1-6(2)3-8(11)7-4-9-5-10-7;1-6(2)5-7(11)8-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-5(2)3-6(11)7-8-4-9-10-7;1-7(2)8-3-5-9-6-4-8;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;2*1-3(2)4/h12-14H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;9-10,12H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8-9,11H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;5-7H,4H2,1-3H3;9H,3-8H2,1-2H3;4-6H,3H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);7H,3-6H2,1-2H3;4-5H,1-3H3;5H,1-4H3;3H,4H2,1-2H3;3-4H,1-2H3
InChIKeyJUXKNMYGJQNWIT-UHFFFAOYSA-N
MW3612.37 g/mol
LogP32.51
Rot. Bonds66

About 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine

1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine (PubChem CID 159031254) has the molecular formula C200H366FN29O24S and a molecular weight of 3612.37 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine
PubChem CID159031254
Molecular FormulaC200H366FN29O24S
Molecular Weight3612.37 g/mol
Exact Mass3609.80
IUPAC Name1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine
SMILESCC(C)CC(=O)C12CCN(CC1)CC2.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(C2COC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)C1CCNCC1.CC(C)CC(=O)CC1CCNCC1.CC(C)CC(=O)CCCN1CCOCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)c1ccncc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1cnc[nH]1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccncn1.CC(C)N.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)OCCN1CCOCC1.CC(C)Sc1nncn1C
InChIInChI=1S/C15H27NO2.C13H23NO2.C12H22FNO.C12H23NO2.C12H21NO.C11H21NO2.2C11H21NO.C10H19NO2.C10H19NO.C10H13NO.C9H14N2O.C9H19NO2.2C8H12N2O.C8H12N2.C7H11N3O.C7H15NO.C6H11N3S.C5H13N.C3H9N.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-10(2)7-13(15)11-3-5-14(6-4-11)12-8-16-9-12;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-11(2)10-12(14)4-3-5-13-6-8-15-9-7-13;1-10(2)9-11(14)12-3-6-13(7-4-12)8-5-12;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-9(2)7-10(12)8-11-3-5-13-6-4-11;2*1-8(2)7-10(12)9-3-5-11-6-4-9;1-7(2)4-9(12)8-5-11(3)6-10-8;1-9(2)12-8-5-10-3-6-11-7-4-10;1-6(2)3-8(11)7-4-9-5-10-7;1-6(2)5-7(11)8-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-5(2)3-6(11)7-8-4-9-10-7;1-7(2)8-3-5-9-6-4-8;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;2*1-3(2)4/h12-14H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;9-10,12H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8-9,11H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;5-7H,4H2,1-3H3;9H,3-8H2,1-2H3;4-6H,3H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);7H,3-6H2,1-2H3;4-5H,1-3H3;5H,1-4H3;3H,4H2,1-2H3;3-4H,1-2H3
InChIKeyJUXKNMYGJQNWIT-UHFFFAOYSA-N
XLogP32.51
TPSA621.97 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds66
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003612.37
LogP ≤ 532.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 162281857
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-imidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 157203760
CID 158461291
CID 158461291
1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 158497226
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-phenyltriazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 159399343
1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one;1-(1-cyclobutylpiperidin-4-yl)-3-methylbutan-1-one;1-cyclohexyl-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-phenylbutan-1-one;6-methyl-1-piperidin-1-ylheptan-4-one;4-methyl-1-piperidin-1-ylpentan-2-one;2-methylpropane;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;2-(2-methylpropyl)pyridine;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-ol;1-(2-propan-2-yloxyethyl)piperidine;1-propan-2-ylpiperidine
CID 159589702
1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one;1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-phenyltriazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;2-methyl-1-pyridazin-3-ylpropan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-5-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 161115477
1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;2,2-dimethyl-1-pyridin-2-ylpropan-1-one;2,2-dimethyl-1-pyrimidin-2-ylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-phenyltriazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;2-methyl-1-pyridazin-3-ylpropan-1-one;2-methyl-1-pyridin-2-ylpropan-1-one;2-methyl-1-pyrimidin-5-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 161739173

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine (CID 159031254) is 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine is CC(C)CC(=O)C12CCN(CC1)CC2.CC(C)CC(=O)C1CCN(C)CC1.CC(C)CC(=O)C1CCN(C2CCOCC2)CC1.CC(C)CC(=O)C1CCN(C2COC2)CC1.CC(C)CC(=O)C1CCN(CCF)CC1.CC(C)CC(=O)C1CCNCC1.CC(C)CC(=O)CC1CCNCC1.CC(C)CC(=O)CCCN1CCOCC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)CN1CCOCC1.CC(C)CC(=O)c1ccncc1.CC(C)CC(=O)c1cn(C)cn1.CC(C)CC(=O)c1cnc[nH]1.CC(C)CC(=O)c1ncc[nH]1.CC(C)CC(=O)c1ncn[nH]1.CC(C)Cc1ccncn1.CC(C)N.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)OCCN1CCOCC1.CC(C)Sc1nncn1C.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine?
The InChIKey is JUXKNMYGJQNWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C13H23NO2.C12H22FNO.C12H23NO2.C12H21NO.C11H21NO2.2C11H21NO.C10H19NO2.C10H19NO.C10H13NO.C9H14N2O.C9H19NO2.2C8H12N2O.C8H12N2.C7H11N3O.C7H15NO.C6H11N3S.C5H13N.C3H9N.C3H8O/c1-12(2)11-15(17)13-3-7-16(8-4-13)14-5-9-18-10-6-14;1-10(2)7-13(15)11-3-5-14(6-4-11)12-8-16-9-12;1-10(2)9-12(15)11-3-6-14(7-4-11)8-5-13;1-11(2)10-12(14)4-3-5-13-6-8-15-9-7-13;1-10(2)9-11(14)12-3-6-13(7-4-12)8-5-12;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-11(13)10-4-6-12(3)7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-9(2)7-10(12)8-11-3-5-13-6-4-11;2*1-8(2)7-10(12)9-3-5-11-6-4-9;1-7(2)4-9(12)8-5-11(3)6-10-8;1-9(2)12-8-5-10-3-6-11-7-4-10;1-6(2)3-8(11)7-4-9-5-10-7;1-6(2)5-7(11)8-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-5(2)3-6(11)7-8-4-9-10-7;1-7(2)8-3-5-9-6-4-8;1-5(2)10-6-8-7-4-9(6)3;1-5(2)6(3)4;2*1-3(2)4/h12-14H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;9-10,12H,3-8H2,1-2H3;9H,3-8H2,1-2H3;8-9,11H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;5-7H,4H2,1-3H3;9H,3-8H2,1-2H3;4-6H,3H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,8,9,10);7H,3-6H2,1-2H3;4-5H,1-3H3;5H,1-4H3;3H,4H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine?
1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine has a molecular weight of 3612.37 g/mol, XLogP of 32.51, 66 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-4-yl)-3-methylbutan-1-one;N,N-dimethylpropan-2-amine;1-[1-(2-fluoroethyl)piperidin-4-yl]-3-methylbutan-1-one;1-(1H-imidazol-2-yl)-3-methylbutan-1-one;1-(1H-imidazol-5-yl)-3-methylbutan-1-one;3-methyl-1-(1-methylimidazol-4-yl)butan-1-one;3-methyl-1-(1-methylpiperidin-4-yl)butan-1-one;6-methyl-1-morpholin-4-ylheptan-4-one;5-methyl-1-morpholin-4-ylhexan-3-one;4-methyl-1-morpholin-4-ylpentan-2-one;3-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]butan-1-one;3-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]butan-1-one;3-methyl-1-piperidin-4-ylbutan-1-one;4-methyl-1-piperidin-4-ylpentan-2-one;4-methyl-3-propan-2-ylsulfanyl-1,2,4-triazole;4-(2-methylpropyl)pyrimidine;3-methyl-1-pyridin-4-ylbutan-1-one;3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one;propan-2-amine;propan-2-ol;4-propan-2-ylmorpholine;4-(2-propan-2-yloxyethyl)morpholine is sourced from PubChem (CID 159031254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).