(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline

C166H171BCl3F24N17O21 — CID 158581820

IUPAC(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline
SMILESCC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1.Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(N)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN[C@H]2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1cnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)O)c1.O=C(Cl)c1c(F)cccc1F.O=C1CCCC1
InChIInChI=1S/C33H34F5N3O4.C28H26F5N3O2.C26H32F3N3O3.C26H26F3N3O3.C15H12ClF3N2O.C11H16BNO4.C8H8F3N.C7H3ClF2O.C7H6ClNO2.C5H8O/c1-18-15-23(29(42)39-22-12-9-19(2)24(16-22)33(36,37)38)28(41(17-18)30(43)27-25(34)7-6-8-26(27)35)20-10-13-21(14-11-20)40-31(44)45-32(3,4)5;1-15-12-20(26(37)35-19-11-6-16(2)21(13-19)28(31,32)33)25(17-7-9-18(34)10-8-17)36(14-15)27(38)24-22(29)4-3-5-23(24)30;2*1-15-12-20(23(33)31-19-9-6-16(2)21(13-19)26(27,28)29)22(30-14-15)17-7-10-18(11-8-17)32-24(34)35-25(3,4)5;1-8-5-11(13(16)20-7-8)14(22)21-10-4-3-9(2)12(6-10)15(17,18)19;1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16;1-5-2-3-6(12)4-7(5)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-5(7(10)11)6(8)9-3-4;6-5-3-1-2-4-5/h6-14,16,18,23,28H,15,17H2,1-5H3,(H,39,42)(H,40,44);3-11,13,15,20,25H,12,14,34H2,1-2H3,(H,35,37);6-11,13,15,20,22,30H,12,14H2,1-5H3,(H,31,33)(H,32,34);6-14H,1-5H3,(H,31,33)(H,32,34);3-7H,1-2H3,(H,21,22);4-7,15-16H,1-3H3,(H,13,14);2-4H,12H2,1H3;1-3H;2-3H,1H3,(H,10,11);1-4H2/t18-,23+,28?;15-,20+,25?;15-,20+,22+;;;;;;;/m111......./s1
InChIKeyHTINHCYAIQCUMW-HMASOUBHSA-N
MW3313.41 g/mol
LogP40.89
Rot. Bonds23

About (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline

(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 158581820) has the molecular formula C166H171BCl3F24N17O21 and a molecular weight of 3313.41 g/mol. Its IUPAC name is (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline
PubChem CID158581820
Molecular FormulaC166H171BCl3F24N17O21
Molecular Weight3313.41 g/mol
Exact Mass3310.16
IUPAC Name(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline
SMILESCC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1.Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(N)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN[C@H]2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1cnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)O)c1.O=C(Cl)c1c(F)cccc1F.O=C1CCCC1
InChIInChI=1S/C33H34F5N3O4.C28H26F5N3O2.C26H32F3N3O3.C26H26F3N3O3.C15H12ClF3N2O.C11H16BNO4.C8H8F3N.C7H3ClF2O.C7H6ClNO2.C5H8O/c1-18-15-23(29(42)39-22-12-9-19(2)24(16-22)33(36,37)38)28(41(17-18)30(43)27-25(34)7-6-8-26(27)35)20-10-13-21(14-11-20)40-31(44)45-32(3,4)5;1-15-12-20(26(37)35-19-11-6-16(2)21(13-19)28(31,32)33)25(17-7-9-18(34)10-8-17)36(14-15)27(38)24-22(29)4-3-5-23(24)30;2*1-15-12-20(23(33)31-19-9-6-16(2)21(13-19)26(27,28)29)22(30-14-15)17-7-10-18(11-8-17)32-24(34)35-25(3,4)5;1-8-5-11(13(16)20-7-8)14(22)21-10-4-3-9(2)12(6-10)15(17,18)19;1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16;1-5-2-3-6(12)4-7(5)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-5(7(10)11)6(8)9-3-4;6-5-3-1-2-4-5/h6-14,16,18,23,28H,15,17H2,1-5H3,(H,39,42)(H,40,44);3-11,13,15,20,25H,12,14,34H2,1-2H3,(H,35,37);6-11,13,15,20,22,30H,12,14H2,1-5H3,(H,31,33)(H,32,34);6-14H,1-5H3,(H,31,33)(H,32,34);3-7H,1-2H3,(H,21,22);4-7,15-16H,1-3H3,(H,13,14);2-4H,12H2,1H3;1-3H;2-3H,1H3,(H,10,11);1-4H2/t18-,23+,28?;15-,20+,25?;15-,20+,22+;;;;;;;/m111......./s1
InChIKeyHTINHCYAIQCUMW-HMASOUBHSA-N
XLogP40.89
TPSA554.08 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003313.41
LogP ≤ 540.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline (CID 158581820) is (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline is CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1.Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(N)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN(C(=O)c3c(F)cccc3F)C2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CN[C@H]2c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F.Cc1cnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc(Cl)c(C(=O)O)c1.O=C(Cl)c1c(F)cccc1F.O=C1CCCC1.
What is the InChIKey of (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is HTINHCYAIQCUMW-HMASOUBHSA-N. The full InChI is InChI=1S/C33H34F5N3O4.C28H26F5N3O2.C26H32F3N3O3.C26H26F3N3O3.C15H12ClF3N2O.C11H16BNO4.C8H8F3N.C7H3ClF2O.C7H6ClNO2.C5H8O/c1-18-15-23(29(42)39-22-12-9-19(2)24(16-22)33(36,37)38)28(41(17-18)30(43)27-25(34)7-6-8-26(27)35)20-10-13-21(14-11-20)40-31(44)45-32(3,4)5;1-15-12-20(26(37)35-19-11-6-16(2)21(13-19)28(31,32)33)25(17-7-9-18(34)10-8-17)36(14-15)27(38)24-22(29)4-3-5-23(24)30;2*1-15-12-20(23(33)31-19-9-6-16(2)21(13-19)26(27,28)29)22(30-14-15)17-7-10-18(11-8-17)32-24(34)35-25(3,4)5;1-8-5-11(13(16)20-7-8)14(22)21-10-4-3-9(2)12(6-10)15(17,18)19;1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16;1-5-2-3-6(12)4-7(5)8(9,10)11;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-5(7(10)11)6(8)9-3-4;6-5-3-1-2-4-5/h6-14,16,18,23,28H,15,17H2,1-5H3,(H,39,42)(H,40,44);3-11,13,15,20,25H,12,14,34H2,1-2H3,(H,35,37);6-11,13,15,20,22,30H,12,14H2,1-5H3,(H,31,33)(H,32,34);6-14H,1-5H3,(H,31,33)(H,32,34);3-7H,1-2H3,(H,21,22);4-7,15-16H,1-3H3,(H,13,14);2-4H,12H2,1H3;1-3H;2-3H,1H3,(H,10,11);1-4H2/t18-,23+,28?;15-,20+,25?;15-,20+,22+;;;;;;;/m111......./s1.
What are the key properties of (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline?
(2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 3313.41 g/mol, XLogP of 40.89, 23 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(4-aminophenyl)-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;tert-butyl N-[4-[(2R,3S,5R)-1-(2,6-difluorobenzoyl)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[(2R,3S,5R)-5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]carbamate;tert-butyl N-[4-[5-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]phenyl]carbamate;2-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;cyclopentanone;2,6-difluorobenzoyl chloride;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 158581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).