[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one

C98H111F17N20O8S6 — CID 158175005

IUPAC[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
SMILESCC1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cc1cc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)nn1C.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(CC(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C21H26F3N3O3S.C16H20F3N3S.C16H17F2N3OS.2C15H17F3N4OS.C15H14F3N3O2S/c1-20(2,3)30-18(28)11-13-7-9-27(10-8-13)19(29)16-6-5-15(31-16)14-12-17(21(22,23)24)26(4)25-14;1-11-5-7-22(8-6-11)10-12-3-4-14(23-12)13-9-15(16(17,18)19)21(2)20-13;1-10-9-12(19-20(10)2)13-3-4-14(23-13)16(22)21-7-5-11(6-8-21)15(17)18;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21/h5-6,12-13H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9H,5-8H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3/t;;;2*9-;/m...10./s1
InChIKeyFXWZVQXHQFXJAI-DGWCOUDDSA-N
MW2212.47 g/mol
LogP21.43
Rot. Bonds15

About [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one

[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one (PubChem CID 158175005) has the molecular formula C98H111F17N20O8S6 and a molecular weight of 2212.47 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
PubChem CID158175005
Molecular FormulaC98H111F17N20O8S6
Molecular Weight2212.47 g/mol
Exact Mass2210.69
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
SMILESCC1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cc1cc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)nn1C.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(CC(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C21H26F3N3O3S.C16H20F3N3S.C16H17F2N3OS.2C15H17F3N4OS.C15H14F3N3O2S/c1-20(2,3)30-18(28)11-13-7-9-27(10-8-13)19(29)16-6-5-15(31-16)14-12-17(21(22,23)24)26(4)25-14;1-11-5-7-22(8-6-11)10-12-3-4-14(23-12)13-9-15(16(17,18)19)21(2)20-13;1-10-9-12(19-20(10)2)13-3-4-14(23-13)16(22)21-7-5-11(6-8-21)15(17)18;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21/h5-6,12-13H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9H,5-8H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3/t;;;2*9-;/m...10./s1
InChIKeyFXWZVQXHQFXJAI-DGWCOUDDSA-N
XLogP21.43
TPSA307.12 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.47
LogP ≤ 521.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(4-Benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone
CID 157057283
(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(2-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 157080173
[4-(Dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(hydroxymethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 157156320
(4-Aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 157347961
Tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 157381238
N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157566119
[5-[5-[chloro(difluoro)methyl]-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
CID 157624153
CID 157750739
CID 157750739
Tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;4,4-difluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(2-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 157863814
[5-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
CID 157865409
N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 157878705
Azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(hydroxymethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone
CID 157909734

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one (CID 158175005) is [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one is CC1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cc1cc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)nn1C.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(CC(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC[C@H](N)C3)s2)cc1C(F)(F)F.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The InChIKey is FXWZVQXHQFXJAI-DGWCOUDDSA-N. The full InChI is InChI=1S/C21H26F3N3O3S.C16H20F3N3S.C16H17F2N3OS.2C15H17F3N4OS.C15H14F3N3O2S/c1-20(2,3)30-18(28)11-13-7-9-27(10-8-13)19(29)16-6-5-15(31-16)14-12-17(21(22,23)24)26(4)25-14;1-11-5-7-22(8-6-11)10-12-3-4-14(23-12)13-9-15(16(17,18)19)21(2)20-13;1-10-9-12(19-20(10)2)13-3-4-14(23-13)16(22)21-7-5-11(6-8-21)15(17)18;2*1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21/h5-6,12-13H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;3-4,9H,5-8H2,1-2H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3/t;;;2*9-;/m...10./s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one has a molecular weight of 2212.47 g/mol, XLogP of 21.43, 15 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]acetate;[4-(difluoromethylidene)piperidin-1-yl]-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanone;4-methyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one is sourced from PubChem (CID 158175005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).