[(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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol

C96H105F20N21O9S6 — CID 161136700

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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol
SMILESCn1nc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(NC(=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.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O3S.C16H14F5N3OS.2C15H17F3N4OS.C15H14F3N3O2S.C15H18F3N3OS/c1-19(2,3)30-18(29)24-12-7-9-27(10-8-12)17(28)15-6-5-14(31-15)13-11-16(20(21,22)23)26(4)25-13;1-23-13(16(19,20)21)8-10(22-23)11-2-3-12(26-11)15(25)24-6-4-9(5-7-24)14(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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21/h5-6,11-12H,7-10H2,1-4H3,(H,24,29);2-3,8H,4-7H2,1H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3/t;;2*9-;;/m..10../s1
InChIKeyUMWVLRINQXSKDY-KTORLZSZSA-N
MW2269.40 g/mol
LogP20.41
Rot. Bonds14

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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol

[(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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol (PubChem CID 161136700) has the molecular formula C96H105F20N21O9S6 and a molecular weight of 2269.40 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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol.

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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol
PubChem CID161136700
Molecular FormulaC96H105F20N21O9S6
Molecular Weight2269.40 g/mol
Exact Mass2267.64
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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol
SMILESCn1nc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(NC(=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.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O3S.C16H14F5N3OS.2C15H17F3N4OS.C15H14F3N3O2S.C15H18F3N3OS/c1-19(2,3)30-18(29)24-12-7-9-27(10-8-12)17(28)15-6-5-14(31-15)13-11-16(20(21,22)23)26(4)25-13;1-23-13(16(19,20)21)8-10(22-23)11-2-3-12(26-11)15(25)24-6-4-9(5-7-24)14(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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21/h5-6,11-12H,7-10H2,1-4H3,(H,24,29);2-3,8H,4-7H2,1H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3/t;;2*9-;;/m..10../s1
InChIKeyUMWVLRINQXSKDY-KTORLZSZSA-N
XLogP20.41
TPSA339.38 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.40
LogP ≤ 520.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol with MolForge

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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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol?
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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol (CID 161136700) 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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol.
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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol?
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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol is Cn1nc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(NC(=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.Cn1nc(-c2ccc(CN3CCC(O)CC3)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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol?
The InChIKey is UMWVLRINQXSKDY-KTORLZSZSA-N. The full InChI is InChI=1S/C20H25F3N4O3S.C16H14F5N3OS.2C15H17F3N4OS.C15H14F3N3O2S.C15H18F3N3OS/c1-19(2,3)30-18(29)24-12-7-9-27(10-8-12)17(28)15-6-5-14(31-15)13-11-16(20(21,22)23)26(4)25-13;1-23-13(16(19,20)21)8-10(22-23)11-2-3-12(26-11)15(25)24-6-4-9(5-7-24)14(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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21/h5-6,11-12H,7-10H2,1-4H3,(H,24,29);2-3,8H,4-7H2,1H3;2*4-5,7,9H,2-3,6,8,19H2,1H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3/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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol?
[(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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol has a molecular weight of 2269.40 g/mol, XLogP of 20.41, 14 rotatable bonds, 4 hydrogen bond donors, and 30 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 N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-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]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 161136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).