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

C137H194ClFN16O17 — CID 157188937

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;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
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)N2CCOCC2)cn1.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.C13H18N2O2.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)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;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;3-4,9-10H,5-8H2,1-2H3;3,8-10,12,14H,4-7H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3
InChIKeyAPLRIUNHELWQFC-UHFFFAOYSA-N
MW2391.60 g/mol
LogP25.05
Rot. Bonds25

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;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

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 (PubChem CID 157188937) has the molecular formula C137H194ClFN16O17 and a molecular weight of 2391.60 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;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.

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;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
PubChem CID157188937
Molecular FormulaC137H194ClFN16O17
Molecular Weight2391.60 g/mol
Exact Mass2389.45
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;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
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)N2CCOCC2)cn1.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.C13H18N2O2.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)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;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;3-4,9-10H,5-8H2,1-2H3;3,8-10,12,14H,4-7H2,1-2H3;3,6,9-10,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3
InChIKeyAPLRIUNHELWQFC-UHFFFAOYSA-N
XLogP25.05
TPSA364.53 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.60
LogP ≤ 525.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

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;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 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-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;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 157954577
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
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158377546
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158573006
N-(3-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2,3-difluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2-fluoro-4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluoro-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 159101247
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
CID 159867515
CID 159867515
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-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;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;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 160776938
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
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);1,1-dimethyl-3-(3-methylbutyl)cyclopentane;1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;3-methylbutyl 3-methylbutanoate;1-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;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;1-(4-methylpentyl)-4-(trifluoromethyl)benzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 162169233

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;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?
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;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) 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;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.
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;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?
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;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 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)N2CCOCC2)cn1.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;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?
The InChIKey is APLRIUNHELWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C15H22N2O3.C15H21NO2.C14H18FNO2.C14H22N4O.C14H19NO2.C13H18N2O2.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)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;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;3-4,9-10H,5-8H2,1-2H3;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;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?
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 has a molecular weight of 2391.60 g/mol, XLogP of 25.05, 25 rotatable bonds, 4 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 157188937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).