1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

C156H231ClF5N29O11 — CID 161261942

IUPAC1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)NC1CCN(c2ncc(C#N)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2ncc(F)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(Cc2cccnc2)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21
InChIInChI=1S/C16H21N3O.C15H20ClNO.C15H21F3N4O.C15H20FNO.C15H21N5O.C15H22N2O.C14H21FN4O.2C13H19N3O.C13H25NO.C12H22N2O/c1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-14(2,3)12(23)20-10-5-8-22(9-6-10)13-19-7-4-11(21-13)15(16,17)18;1-11(2)15(18)17-8-6-12(7-9-17)13-4-3-5-14(16)10-13;1-15(2,3)13(21)19-12-4-6-20(7-5-12)14-17-9-11(8-16)10-18-14;1-12(2)15(18)17-8-5-13(6-9-17)10-14-4-3-7-16-11-14;1-14(2,3)12(20)18-11-4-6-19(7-5-11)13-16-8-10(15)9-17-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11/h3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;4,7,10H,5-6,8-9H2,1-3H3,(H,20,23);3-5,10-12H,6-9H2,1-2H3;9-10,12H,4-7H2,1-3H3,(H,19,21);3-4,7,11-13H,5-6,8-10H2,1-2H3;8-9,11H,4-7H2,1-3H3,(H,18,20);5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15)
InChIKeyVCQZFYCUTXMKHG-UHFFFAOYSA-N
MW2819.20 g/mol
LogP25.82
Rot. Bonds23

About 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 161261942) has the molecular formula C156H231ClF5N29O11 and a molecular weight of 2819.20 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID161261942
Molecular FormulaC156H231ClF5N29O11
Molecular Weight2819.20 g/mol
Exact Mass2816.80
IUPAC Name1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)NC1CCN(c2ncc(C#N)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2ncc(F)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(Cc2cccnc2)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21
InChIInChI=1S/C16H21N3O.C15H20ClNO.C15H21F3N4O.C15H20FNO.C15H21N5O.C15H22N2O.C14H21FN4O.2C13H19N3O.C13H25NO.C12H22N2O/c1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-14(2,3)12(23)20-10-5-8-22(9-6-10)13-19-7-4-11(21-13)15(16,17)18;1-11(2)15(18)17-8-6-12(7-9-17)13-4-3-5-14(16)10-13;1-15(2,3)13(21)19-12-4-6-20(7-5-12)14-17-9-11(8-16)10-18-14;1-12(2)15(18)17-8-5-13(6-9-17)10-14-4-3-7-16-11-14;1-14(2,3)12(20)18-11-4-6-19(7-5-11)13-16-8-10(15)9-17-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11/h3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;4,7,10H,5-6,8-9H2,1-3H3,(H,20,23);3-5,10-12H,6-9H2,1-2H3;9-10,12H,4-7H2,1-3H3,(H,19,21);3-4,7,11-13H,5-6,8-10H2,1-2H3;8-9,11H,4-7H2,1-3H3,(H,18,20);5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15)
InChIKeyVCQZFYCUTXMKHG-UHFFFAOYSA-N
XLogP25.82
TPSA454.93 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002819.20
LogP ≤ 525.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole
CID 158222790
4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158539402
tert-butyl 4-(2,2-dimethylpropanoyl)-2-methylpiperazine-1-carboxylate;1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpropan-1-one;6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonitrile;2,2-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 159285482
cyclopropanecarbonyl chloride;cyclopropyl-[(3S)-3-[[4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylbenzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone;4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylbenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 160167985
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide
CID 162066310
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(3,4-difluoroanilino)-6-methyl-9-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]purin-8-one
CID 171068220
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-6-methyl-9-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2-(3,3,3-trifluoropropylamino)purin-8-one
CID 171068267
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(2,4-difluoroanilino)-6-methyl-9-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]purin-8-one
CID 171068316
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(3-fluoroanilino)-6-methyl-9-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]purin-8-one
CID 176016362
1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 158565561
(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 159012966
7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)
CID 159035472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (CID 161261942) is 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)NC1CCN(c2ncc(C#N)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2ncc(F)cn2)CC1.CC(C)(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(Cc2cccnc2)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is VCQZFYCUTXMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C15H20ClNO.C15H21F3N4O.C15H20FNO.C15H21N5O.C15H22N2O.C14H21FN4O.2C13H19N3O.C13H25NO.C12H22N2O/c1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-14(2,3)12(23)20-10-5-8-22(9-6-10)13-19-7-4-11(21-13)15(16,17)18;1-11(2)15(18)17-8-6-12(7-9-17)13-4-3-5-14(16)10-13;1-15(2,3)13(21)19-12-4-6-20(7-5-12)14-17-9-11(8-16)10-18-14;1-12(2)15(18)17-8-5-13(6-9-17)10-14-4-3-7-16-11-14;1-14(2,3)12(20)18-11-4-6-19(7-5-11)13-16-8-10(15)9-17-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11/h3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;4,7,10H,5-6,8-9H2,1-3H3,(H,20,23);3-5,10-12H,6-9H2,1-2H3;9-10,12H,4-7H2,1-3H3,(H,19,21);3-4,7,11-13H,5-6,8-10H2,1-2H3;8-9,11H,4-7H2,1-3H3,(H,18,20);5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 2819.20 g/mol, XLogP of 25.82, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 161261942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).