1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one

C197H314F2N10O29 — CID 159130306

IUPAC1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
SMILESC=C(C)N1CCC(C(=O)C(C)(C)C)CC1.C=C(C)N1CCC(C(=O)C(C)C)CC1.CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(=O)c1ccc(CC(=O)C(C)C)cc1.CC(C)(C)C(=O)N1CCC(O)(C(C)(F)F)CC1.CC(C)(C)C(=O)Nc1ccncc1.CC(C)C(=O)C1CCC(C(=O)O)CC1.CC(C)C(=O)C1CCOCC1.CC(C)C(=O)CC1CCOCC1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccncc1.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OCc1ccccc1.CC(C)C(=O)c1ccccc1.CCC(=O)C(C)C.CCC(=O)C(C)C.CCNC(=O)C(C)C.COC(=O)C(C)C.Cc1ccc(CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H23NO.C13H16O2.C13H18O.C12H21F2NO2.C12H21NO.C11H18O3.C11H14O2.2C11H14O.C10H18N2O2.C10H14N2O.C10H13NO.C10H18O2.C10H12O.C9H16O2.C8H17NO.C6H13NO.2C6H12O.C5H10O2/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5;1-9(2)13(15)8-11-4-6-12(7-5-11)10(3)14;1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-10(2,3)9(16)15-7-5-12(17,6-8-15)11(4,13)14;1-9(2)12(14)11-5-7-13(8-6-11)10(3)4;1-7(2)10(12)8-3-5-9(6-4-8)11(13)14;1-9(2)11(12)13-8-10-6-4-3-5-7-10;2*1-9(2)11(12)8-10-6-4-3-5-7-10;1-8(2)10(14)12-6-4-11(5-7-12)9(3)13;1-10(2,3)9(13)12-8-4-6-11-7-5-8;1-8(2)10(12)7-9-3-5-11-6-4-9;1-8(2)10(11)7-9-3-5-12-6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(10)8-3-5-11-6-4-8;1-6(2)7(10)9-8(3,4)5;1-4-7-6(8)5(2)3;2*1-4-6(7)5(2)3;1-4(2)5(6)7-3/h11H,1,6-9H2,2-5H3;4-7,9H,8H2,1-3H3;5-8H,9H2,1-4H3;17H,5-8H2,1-4H3;9,11H,3,5-8H2,1-2,4H3;7-9H,3-6H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,11,12,13);3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;6H,1-5H3,(H,9,10);5H,4H2,1-3H3,(H,7,8);2*5H,4H2,1-3H3;4H,1-3H3
InChIKeyKGUOJBMJFVFTLA-UHFFFAOYSA-N
MW3324.72 g/mol
LogP39.39
Rot. Bonds44

About 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one

1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one (PubChem CID 159130306) has the molecular formula C197H314F2N10O29 and a molecular weight of 3324.72 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
PubChem CID159130306
Molecular FormulaC197H314F2N10O29
Molecular Weight3324.72 g/mol
Exact Mass3322.34
IUPAC Name1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
SMILESC=C(C)N1CCC(C(=O)C(C)(C)C)CC1.C=C(C)N1CCC(C(=O)C(C)C)CC1.CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(=O)c1ccc(CC(=O)C(C)C)cc1.CC(C)(C)C(=O)N1CCC(O)(C(C)(F)F)CC1.CC(C)(C)C(=O)Nc1ccncc1.CC(C)C(=O)C1CCC(C(=O)O)CC1.CC(C)C(=O)C1CCOCC1.CC(C)C(=O)CC1CCOCC1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccncc1.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OCc1ccccc1.CC(C)C(=O)c1ccccc1.CCC(=O)C(C)C.CCC(=O)C(C)C.CCNC(=O)C(C)C.COC(=O)C(C)C.Cc1ccc(CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H23NO.C13H16O2.C13H18O.C12H21F2NO2.C12H21NO.C11H18O3.C11H14O2.2C11H14O.C10H18N2O2.C10H14N2O.C10H13NO.C10H18O2.C10H12O.C9H16O2.C8H17NO.C6H13NO.2C6H12O.C5H10O2/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5;1-9(2)13(15)8-11-4-6-12(7-5-11)10(3)14;1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-10(2,3)9(16)15-7-5-12(17,6-8-15)11(4,13)14;1-9(2)12(14)11-5-7-13(8-6-11)10(3)4;1-7(2)10(12)8-3-5-9(6-4-8)11(13)14;1-9(2)11(12)13-8-10-6-4-3-5-7-10;2*1-9(2)11(12)8-10-6-4-3-5-7-10;1-8(2)10(14)12-6-4-11(5-7-12)9(3)13;1-10(2,3)9(13)12-8-4-6-11-7-5-8;1-8(2)10(12)7-9-3-5-11-6-4-9;1-8(2)10(11)7-9-3-5-12-6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(10)8-3-5-11-6-4-8;1-6(2)7(10)9-8(3,4)5;1-4-7-6(8)5(2)3;2*1-4-6(7)5(2)3;1-4(2)5(6)7-3/h11H,1,6-9H2,2-5H3;4-7,9H,8H2,1-3H3;5-8H,9H2,1-4H3;17H,5-8H2,1-4H3;9,11H,3,5-8H2,1-2,4H3;7-9H,3-6H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,11,12,13);3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;6H,1-5H3,(H,9,10);5H,4H2,1-3H3,(H,7,8);2*5H,4H2,1-3H3;4H,1-3H3
InChIKeyKGUOJBMJFVFTLA-UHFFFAOYSA-N
XLogP39.39
TPSA548.06 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003324.72
LogP ≤ 539.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one with MolForge

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Related Compounds

2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 123528465
4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide
CID 157214494
4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-phenylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[3-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;9,9,9-trifluoro-8-oxo-N-phenylnonanamide
CID 158449282
CID 159565499
CID 159565499
1-(4-acetylcyclohexyl)-2-methylpropan-1-one;1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;1-(1-acetylpiperidin-4-yl)-2,2-dimethylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2,2-dimethylpropanamide;1-cyclohexyl-2-methylpropan-1-one;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;4-(3,3-dimethyl-2-oxobutyl)benzonitrile;2,2-dimethylpentan-3-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2,2-dimethylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methylpentan-3-one;bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
CID 159650054
3-N-[2-(diethylamino)ethyl]-3-N-methyl-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 160304287
CID 164987927
CID 164987927
tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[[4-[(2,6-difluorophenyl)methylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoic acid;methyl 4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoate;methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;5-pentylpyridine-2-carboxylic acid
CID 157580367
benzyl pyridine-3-carboxylate;butyl pyridine-3-carboxylate;bis(carbon dioxide);4-ethenylpyridine;N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide;hexyl pyridine-3-carboxylate;4-isocyanopyridine;methyl 3-pyridin-3-ylpropanoate;phenyl(pyridin-3-yl)methanone;pyridine;N-pyridin-4-ylformamide;3-pyridin-3-ylpropan-1-ol
CID 158379694
benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone
CID 159008449
3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate
CID 160574827
Sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide
CID 160674083

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one?
The IUPAC name of 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one (CID 159130306) is 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one?
The canonical SMILES for 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one is C=C(C)N1CCC(C(=O)C(C)(C)C)CC1.C=C(C)N1CCC(C(=O)C(C)C)CC1.CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(=O)c1ccc(CC(=O)C(C)C)cc1.CC(C)(C)C(=O)N1CCC(O)(C(C)(F)F)CC1.CC(C)(C)C(=O)Nc1ccncc1.CC(C)C(=O)C1CCC(C(=O)O)CC1.CC(C)C(=O)C1CCOCC1.CC(C)C(=O)CC1CCOCC1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccncc1.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)OCc1ccccc1.CC(C)C(=O)c1ccccc1.CCC(=O)C(C)C.CCC(=O)C(C)C.CCNC(=O)C(C)C.COC(=O)C(C)C.Cc1ccc(CC(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one?
The InChIKey is KGUOJBMJFVFTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C13H16O2.C13H18O.C12H21F2NO2.C12H21NO.C11H18O3.C11H14O2.2C11H14O.C10H18N2O2.C10H14N2O.C10H13NO.C10H18O2.C10H12O.C9H16O2.C8H17NO.C6H13NO.2C6H12O.C5H10O2/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5;1-9(2)13(15)8-11-4-6-12(7-5-11)10(3)14;1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-10(2,3)9(16)15-7-5-12(17,6-8-15)11(4,13)14;1-9(2)12(14)11-5-7-13(8-6-11)10(3)4;1-7(2)10(12)8-3-5-9(6-4-8)11(13)14;1-9(2)11(12)13-8-10-6-4-3-5-7-10;2*1-9(2)11(12)8-10-6-4-3-5-7-10;1-8(2)10(14)12-6-4-11(5-7-12)9(3)13;1-10(2,3)9(13)12-8-4-6-11-7-5-8;1-8(2)10(12)7-9-3-5-11-6-4-9;1-8(2)10(11)7-9-3-5-12-6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(10)8-3-5-11-6-4-8;1-6(2)7(10)9-8(3,4)5;1-4-7-6(8)5(2)3;2*1-4-6(7)5(2)3;1-4(2)5(6)7-3/h11H,1,6-9H2,2-5H3;4-7,9H,8H2,1-3H3;5-8H,9H2,1-4H3;17H,5-8H2,1-4H3;9,11H,3,5-8H2,1-2,4H3;7-9H,3-6H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,11,12,13);3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;6H,1-5H3,(H,9,10);5H,4H2,1-3H3,(H,7,8);2*5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one?
1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one has a molecular weight of 3324.72 g/mol, XLogP of 39.39, 44 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 159130306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).