1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C118H106F18N16O7S — CID 161057089

IUPAC1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cnc2c(c1)CC(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)=C2.O=C(c1ccc2cccn2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnn1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn2ncccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2s1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H21F3N2O.C20H18F3N3O.C20H17F3N2O2.C20H17F3N2OS.C19H17F3N4O.C17H16F3N3O/c1-14-10-16-11-17(12-20(16)26-13-14)21(28)27-8-6-15(7-9-27)18-4-2-3-5-19(18)22(23,24)25;21-20(22,23)17-6-2-1-5-16(17)14-9-12-25(13-10-14)19(27)18-8-7-15-4-3-11-26(15)24-18;21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)15-5-2-1-4-14(15)13-7-10-25(11-8-13)18(27)16-12-26-17(24-16)6-3-9-23-26;18-17(19,20)14-5-2-1-4-13(14)12-7-10-23(11-8-12)16(24)15-6-3-9-21-22-15/h2-5,10,12-13,15H,6-9,11H2,1H3;1-8,11,14H,9-10,12-13H2;2*1-8,13H,9-12H2;1-6,9,12-13H,7-8,10-11H2;1-6,9,12H,7-8,10-11H2
InChIKeyUCWXFGGVYQJEDO-UHFFFAOYSA-N
MW2234.28 g/mol
LogP26.61
Rot. Bonds12

About 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 161057089) has the molecular formula C118H106F18N16O7S and a molecular weight of 2234.28 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID161057089
Molecular FormulaC118H106F18N16O7S
Molecular Weight2234.28 g/mol
Exact Mass2232.79
IUPAC Name1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cnc2c(c1)CC(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)=C2.O=C(c1ccc2cccn2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnn1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn2ncccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2s1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H21F3N2O.C20H18F3N3O.C20H17F3N2O2.C20H17F3N2OS.C19H17F3N4O.C17H16F3N3O/c1-14-10-16-11-17(12-20(16)26-13-14)21(28)27-8-6-15(7-9-27)18-4-2-3-5-19(18)22(23,24)25;21-20(22,23)17-6-2-1-5-16(17)14-9-12-25(13-10-14)19(27)18-8-7-15-4-3-11-26(15)24-18;21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)15-5-2-1-4-14(15)13-7-10-25(11-8-13)18(27)16-12-26-17(24-16)6-3-9-23-26;18-17(19,20)14-5-2-1-4-13(14)12-7-10-23(11-8-12)16(24)15-6-3-9-21-22-15/h2-5,10,12-13,15H,6-9,11H2,1H3;1-8,11,14H,9-10,12-13H2;2*1-8,13H,9-12H2;1-6,9,12-13H,7-8,10-11H2;1-6,9,12H,7-8,10-11H2
InChIKeyUCWXFGGVYQJEDO-UHFFFAOYSA-N
XLogP26.61
TPSA246.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.28
LogP ≤ 526.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 157104122
N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,2,4,6-tetramethylpyridine-3-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide
CID 157702363
N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 158863667
1,2-Benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
CID 161310103
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide;N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide;N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 173662390
(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157579142
N-[3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]acetamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 157793196
1-[4-(1,2-Benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 158356288
(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]acetamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 158849973
1-(1,3-Dimethylthieno[3,2-d]pyrazol-5-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5-methyl-1,2-oxazol-3-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5-methyl-2-phenyltriazol-4-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-methylthiadiazol-5-yl)ethanone;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 158904465
N-[3-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]acetamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 158952824
3-amino-4-(2-methylpropylamino)cyclobut-3-ene-1,2-dione;1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;N-(2-methylpropyl)-1,2-benzoxazol-3-amine;bis(N-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-amine);1-(2-methylpropyl)indazole;N-(2-methylpropyl)-3H-isoindol-1-amine;N-(2-methylpropyl)isoquinolin-1-amine;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
CID 159467223

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 161057089) is 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cnc2c(c1)CC(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)=C2.O=C(c1ccc2cccn2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnn1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn2ncccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2s1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is UCWXFGGVYQJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O.C20H18F3N3O.C20H17F3N2O2.C20H17F3N2OS.C19H17F3N4O.C17H16F3N3O/c1-14-10-16-11-17(12-20(16)26-13-14)21(28)27-8-6-15(7-9-27)18-4-2-3-5-19(18)22(23,24)25;21-20(22,23)17-6-2-1-5-16(17)14-9-12-25(13-10-14)19(27)18-8-7-15-4-3-11-26(15)24-18;21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)15-5-2-1-4-14(15)13-7-10-25(11-8-13)18(27)16-12-26-17(24-16)6-3-9-23-26;18-17(19,20)14-5-2-1-4-13(14)12-7-10-23(11-8-12)16(24)15-6-3-9-21-22-15/h2-5,10,12-13,15H,6-9,11H2,1H3;1-8,11,14H,9-10,12-13H2;2*1-8,13H,9-12H2;1-6,9,12-13H,7-8,10-11H2;1-6,9,12H,7-8,10-11H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2234.28 g/mol, XLogP of 26.61, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 161057089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).