N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C124H176ClFN14O15 — CID 160568999

IUPACN-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1.CC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1F.CC(C)c1ccc(C(=O)NC2CCOCC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccnc(OC2CCNCC2)c1.CC(C)c1ccnc(OC2CCOCC2)c1.COC(=O)N1CCC(Oc2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C17H24N2O2.C15H22N2O3.C15H21NO2.C14H18FNO2.C14H22N4O.C14H19NO2.C13H20N2O.C13H19NO2.C9H11Cl/c1-12(2)14-4-6-15(7-5-14)17(21)18-16-8-10-19(11-9-16)13(3)20;1-11(2)12-4-7-16-14(10-12)20-13-5-8-17(9-6-13)15(18)19-3;1-11(2)12-3-5-13(6-4-12)15(17)16-14-7-9-18-10-8-14;1-10(2)12-4-3-11(9-13(12)15)14(17)16-5-7-18-8-6-16;1-10(2)13-8-14(16-9-15-13)17-12-4-6-18(7-5-12)11(3)19;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-3-8-15-13(9-11)16-12-4-6-14-7-5-12;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-7(2)8-3-5-9(10)6-4-8/h4-7,12,16H,8-11H2,1-3H3,(H,18,21);4,7,10-11,13H,5-6,8-9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3,(H,16,17);3-4,9-10H,5-8H2,1-2H3;8-10,12H,4-7H2,1-3H3,(H,15,16,17);3-6,11H,7-10H2,1-2H3;3,8-10,12,14H,4-7H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3
InChIKeyRAHNZSSSZFXLLY-UHFFFAOYSA-N
MW2157.31 g/mol
LogP23.37
Rot. Bonds23

About N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 160568999) has the molecular formula C124H176ClFN14O15 and a molecular weight of 2157.31 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID160568999
Molecular FormulaC124H176ClFN14O15
Molecular Weight2157.31 g/mol
Exact Mass2155.31
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1.CC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1F.CC(C)c1ccc(C(=O)NC2CCOCC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccnc(OC2CCNCC2)c1.CC(C)c1ccnc(OC2CCOCC2)c1.COC(=O)N1CCC(Oc2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C17H24N2O2.C15H22N2O3.C15H21NO2.C14H18FNO2.C14H22N4O.C14H19NO2.C13H20N2O.C13H19NO2.C9H11Cl/c1-12(2)14-4-6-15(7-5-14)17(21)18-16-8-10-19(11-9-16)13(3)20;1-11(2)12-4-7-16-14(10-12)20-13-5-8-17(9-6-13)15(18)19-3;1-11(2)12-3-5-13(6-4-12)15(17)16-14-7-9-18-10-8-14;1-10(2)12-4-3-11(9-13(12)15)14(17)16-5-7-18-8-6-16;1-10(2)13-8-14(16-9-15-13)17-12-4-6-18(7-5-12)11(3)19;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-3-8-15-13(9-11)16-12-4-6-14-7-5-12;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-7(2)8-3-5-9(10)6-4-8/h4-7,12,16H,8-11H2,1-3H3,(H,18,21);4,7,10-11,13H,5-6,8-9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3,(H,16,17);3-4,9-10H,5-8H2,1-2H3;8-10,12H,4-7H2,1-3H3,(H,15,16,17);3-6,11H,7-10H2,1-2H3;3,8-10,12,14H,4-7H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3
InChIKeyRAHNZSSSZFXLLY-UHFFFAOYSA-N
XLogP23.37
TPSA322.10 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.31
LogP ≤ 523.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 123641062
N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
CID 158164934
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;5-(2,3-dimethylbutyl)-2-methylpyridine;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;4-methylpentylbenzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 159554231
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;3-methylbutyl 3-methylbutanoate;1-(3-methylbutyl)piperidine;methyl 3-methylbutanoate;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;3-(4-methylpentyl)pyridine;1-(4-methylpentyl)-4-(trifluoromethyl)benzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 160107364
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
CID 160837883
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-one;4,4-dimethylpentylbenzene;1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;3-methylbutyl 3-methylbutanoate;methyl 3-methylbutanoate;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;3-(4-methylpentyl)pyridine;1-(4-methylpentyl)-4-(trifluoromethyl)benzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3,3-dimethylbutanoate;bis(N,3,3-trimethyl-N-(3-methylbutyl)butanamide)
CID 161524774
[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(4-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 162015958
3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methoxypyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167572951
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;methane;3-methylbutyl 3-methylbutanoate;methyl 3-methylbutanoate;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;3-(4-methylpentyl)pyridine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 157056796
N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 157188937
4-tert-butyl-N-[[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;(4-tert-butylphenyl)-[3-[[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone;1-(4-tert-butylphenyl)-2-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]ethanone;1-(3-chloroanilino)-3-[(3S)-1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]piperidin-3-yl]propan-2-one
CID 157216430

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 160568999) is N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1.CC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1F.CC(C)c1ccc(C(=O)NC2CCOCC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccnc(OC2CCNCC2)c1.CC(C)c1ccnc(OC2CCOCC2)c1.COC(=O)N1CCC(Oc2cc(C(C)C)ccn2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is RAHNZSSSZFXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C15H22N2O3.C15H21NO2.C14H18FNO2.C14H22N4O.C14H19NO2.C13H20N2O.C13H19NO2.C9H11Cl/c1-12(2)14-4-6-15(7-5-14)17(21)18-16-8-10-19(11-9-16)13(3)20;1-11(2)12-4-7-16-14(10-12)20-13-5-8-17(9-6-13)15(18)19-3;1-11(2)12-3-5-13(6-4-12)15(17)16-14-7-9-18-10-8-14;1-10(2)12-4-3-11(9-13(12)15)14(17)16-5-7-18-8-6-16;1-10(2)13-8-14(16-9-15-13)17-12-4-6-18(7-5-12)11(3)19;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-10(2)11-3-8-15-13(9-11)16-12-4-6-14-7-5-12;1-10(2)11-3-6-14-13(9-11)16-12-4-7-15-8-5-12;1-7(2)8-3-5-9(10)6-4-8/h4-7,12,16H,8-11H2,1-3H3,(H,18,21);4,7,10-11,13H,5-6,8-9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3,(H,16,17);3-4,9-10H,5-8H2,1-2H3;8-10,12H,4-7H2,1-3H3,(H,15,16,17);3-6,11H,7-10H2,1-2H3;3,8-10,12,14H,4-7H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 2157.31 g/mol, XLogP of 23.37, 23 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 160568999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).