(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C178H187F30N29O5 — CID 159625990

IUPAC(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n(C)n1.Cc1cc(C)nc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cnc(N2CCC(c3ccccc3C(F)(F)F)CC2)nc1.Cn1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.Cn1cncc1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(C1=CCC=N1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn(Cc2ccccc2)cn1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H22F3N3O.C18H20F3N3O.C18H20F3N3.2C17H18F3N3O.4C17H18F3N3.C17H17F3N2O/c24-23(25,26)20-9-5-4-8-19(20)18-10-12-29(13-11-18)22(30)21-15-28(16-27-21)14-17-6-2-1-3-7-17;1-12-11-16(23(2)22-12)17(25)24-9-7-13(8-10-24)14-5-3-4-6-15(14)18(19,20)21;1-12-11-13(2)23-17(22-12)24-9-7-14(8-10-24)15-5-3-4-6-16(15)18(19,20)21;1-22-10-15(21-11-22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;1-22-11-21-10-15(22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;3*1-12-6-9-21-16(22-12)23-10-7-13(8-11-23)14-4-2-3-5-15(14)17(18,19)20;1-12-10-21-16(22-11-12)23-8-6-13(7-9-23)14-4-2-3-5-15(14)17(18,19)20;18-17(19,20)14-5-2-1-4-13(14)12-7-10-22(11-8-12)16(23)15-6-3-9-21-15/h1-9,15-16,18H,10-14H2;3-6,11,13H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;2*2-5,10-12H,6-9H2,1H3;3*2-6,9,13H,7-8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;1-2,4-6,9,12H,3,7-8,10-11H2
InChIKeyMOMNTCWAUGIJPZ-UHFFFAOYSA-N
MW3382.59 g/mol
LogP40.67
Rot. Bonds22

About (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 159625990) has the molecular formula C178H187F30N29O5 and a molecular weight of 3382.59 g/mol. Its IUPAC name is (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID159625990
Molecular FormulaC178H187F30N29O5
Molecular Weight3382.59 g/mol
Exact Mass3380.48
IUPAC Name(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n(C)n1.Cc1cc(C)nc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cnc(N2CCC(c3ccccc3C(F)(F)F)CC2)nc1.Cn1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.Cn1cncc1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(C1=CCC=N1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn(Cc2ccccc2)cn1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H22F3N3O.C18H20F3N3O.C18H20F3N3.2C17H18F3N3O.4C17H18F3N3.C17H17F3N2O/c24-23(25,26)20-9-5-4-8-19(20)18-10-12-29(13-11-18)22(30)21-15-28(16-27-21)14-17-6-2-1-3-7-17;1-12-11-16(23(2)22-12)17(25)24-9-7-13(8-10-24)14-5-3-4-6-15(14)18(19,20)21;1-12-11-13(2)23-17(22-12)24-9-7-14(8-10-24)15-5-3-4-6-16(15)18(19,20)21;1-22-10-15(21-11-22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;1-22-11-21-10-15(22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;3*1-12-6-9-21-16(22-12)23-10-7-13(8-11-23)14-4-2-3-5-15(14)17(18,19)20;1-12-10-21-16(22-11-12)23-8-6-13(7-9-23)14-4-2-3-5-15(14)17(18,19)20;18-17(19,20)14-5-2-1-4-13(14)12-7-10-22(11-8-12)16(23)15-6-3-9-21-15/h1-9,15-16,18H,10-14H2;3-6,11,13H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;2*2-5,10-12H,6-9H2,1H3;3*2-6,9,13H,7-8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;1-2,4-6,9,12H,3,7-8,10-11H2
InChIKeyMOMNTCWAUGIJPZ-UHFFFAOYSA-N
XLogP40.67
TPSA330.29 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003382.59
LogP ≤ 540.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
[3-[3-[[(3R)-5,5-difluoro-1-[1-methyl-4-(2-methylphenyl)pyrazole-3-carbonyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-3-yl]methyl]pyridin-2-yl]-6-methylpyridin-2-yl]-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 130341797
[(3R)-3-[[2-[3-[(3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidine-1-carbonyl]-1-methylpyrazol-4-yl]phenyl]methyl]-5,5-difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1-methyl-4-phenylpyrazol-3-yl)methanone
CID 145351470
[(7S)-2-[[4-[3-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-ethyl-1,2,4-triazol-1-yl]phenyl]methyl]-7-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyrazolo[1,5-a]pyridin-4-ylmethanone
CID 146515810
ethane;3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629358
3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629359
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
[5-Methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157188081
[4-[8-tert-butyl-6-(4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyl-1H-imidazol-5-yl)piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
CID 157222251
(3-Fluoro-2-iodophenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157254341
[3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1-phenylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 157283348
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157287011

Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 159625990) is (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n(C)n1.Cc1cc(C)nc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cnc(N2CCC(c3ccccc3C(F)(F)F)CC2)nc1.Cn1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.Cn1cncc1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(C1=CCC=N1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn(Cc2ccccc2)cn1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is MOMNTCWAUGIJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O.C18H20F3N3O.C18H20F3N3.2C17H18F3N3O.4C17H18F3N3.C17H17F3N2O/c24-23(25,26)20-9-5-4-8-19(20)18-10-12-29(13-11-18)22(30)21-15-28(16-27-21)14-17-6-2-1-3-7-17;1-12-11-16(23(2)22-12)17(25)24-9-7-13(8-10-24)14-5-3-4-6-15(14)18(19,20)21;1-12-11-13(2)23-17(22-12)24-9-7-14(8-10-24)15-5-3-4-6-16(15)18(19,20)21;1-22-10-15(21-11-22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;1-22-11-21-10-15(22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;3*1-12-6-9-21-16(22-12)23-10-7-13(8-11-23)14-4-2-3-5-15(14)17(18,19)20;1-12-10-21-16(22-11-12)23-8-6-13(7-9-23)14-4-2-3-5-15(14)17(18,19)20;18-17(19,20)14-5-2-1-4-13(14)12-7-10-22(11-8-12)16(23)15-6-3-9-21-15/h1-9,15-16,18H,10-14H2;3-6,11,13H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;2*2-5,10-12H,6-9H2,1H3;3*2-6,9,13H,7-8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;1-2,4-6,9,12H,3,7-8,10-11H2.
What are the key properties of (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 3382.59 g/mol, XLogP of 40.67, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 159625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).