ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid

C205H230F21N23O12 — CID 158681909

IUPACethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid
SMILESCC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CCOC(=O)C[C@@H]1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1
InChIInChI=1S/2C31H37F3N4O.C31H36F3N3O2.4C28H30F3N3O2/c2*1-22(2)36-29(39)28-21-37(19-24-13-15-35-16-14-24)17-18-38(28)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(3,4)31(32,33)34;1-4-39-29(38)19-28-22-36(17-18-37(28)21-24-13-15-35-16-14-24)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(2,3)31(32,33)34;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)18-34-16-15-33(19-25(34)26(35)36)17-21-11-13-32-14-12-21;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)17-33-15-16-34(25(19-33)26(35)36)18-21-11-13-32-14-12-21/h2*5-16,22,28H,17-21H2,1-4H3,(H,36,39);5-16,28H,4,17-22H2,1-3H3;4*3-14,25H,15-19H2,1-2H3,(H,35,36)/t3*28-;4*25-/m1011010/s1
InChIKeyIFFVKHPJPGVGQN-FZVYQUFASA-N
MW3607.20 g/mol
LogP39.27
Rot. Bonds53

About ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid

ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid (PubChem CID 158681909) has the molecular formula C205H230F21N23O12 and a molecular weight of 3607.20 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid
PubChem CID158681909
Molecular FormulaC205H230F21N23O12
Molecular Weight3607.20 g/mol
Exact Mass3604.78
IUPAC Nameethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid
SMILESCC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CCOC(=O)C[C@@H]1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1
InChIInChI=1S/2C31H37F3N4O.C31H36F3N3O2.4C28H30F3N3O2/c2*1-22(2)36-29(39)28-21-37(19-24-13-15-35-16-14-24)17-18-38(28)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(3,4)31(32,33)34;1-4-39-29(38)19-28-22-36(17-18-37(28)21-24-13-15-35-16-14-24)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(2,3)31(32,33)34;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)18-34-16-15-33(19-25(34)26(35)36)17-21-11-13-32-14-12-21;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)17-33-15-16-34(25(19-33)26(35)36)18-21-11-13-32-14-12-21/h2*5-16,22,28H,17-21H2,1-4H3,(H,36,39);5-16,28H,4,17-22H2,1-3H3;4*3-14,25H,15-19H2,1-2H3,(H,35,36)/t3*28-;4*25-/m1011010/s1
InChIKeyIFFVKHPJPGVGQN-FZVYQUFASA-N
XLogP39.27
TPSA369.29 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds53
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003607.20
LogP ≤ 539.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid with MolForge

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Related Compounds

5-[[2-[(2R)-1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylphenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetyl]amino]hexan-2-yl 4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylate
CID 134465485
1-[(5R)-1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-5-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]propan-2-yl 2-[(2S)-4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 139459685
2-hydroxyethyl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;N-propan-2-yl-2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;N-propan-2-yl-2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;N-propan-2-yl-2-[(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;propan-2-yl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;propan-2-yl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 157065851
2-aminoethyl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-aminoethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-ethoxyethyl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-ethoxyethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-hydroxyethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 157098323
2-Aminoethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;tris(2-ethoxyethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate);2-hydroxyethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;propyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 157471691
2-Aminoethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-ethoxyethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-hydroxyethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;propan-2-yl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 157630073
ethyl (2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl (2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl (2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl (2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;ethyl 2-[(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;ethyl 2-[(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 157737640
Tris(ethyl 2-[4-[[3-methyl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate);ethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;tris(2-[4-[[3-methyl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid)
CID 157770828
CID 157770832
CID 157770832
CID 157862549
CID 157862549
CID 158088185
CID 158088185
ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid
CID 158933790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The IUPAC name of ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid (CID 158681909) is ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The canonical SMILES for ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid is CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C[C@H]3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)[C@H](C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CCOC(=O)C[C@@H]1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1.
What is the InChIKey of ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The InChIKey is IFFVKHPJPGVGQN-FZVYQUFASA-N. The full InChI is InChI=1S/2C31H37F3N4O.C31H36F3N3O2.4C28H30F3N3O2/c2*1-22(2)36-29(39)28-21-37(19-24-13-15-35-16-14-24)17-18-38(28)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(3,4)31(32,33)34;1-4-39-29(38)19-28-22-36(17-18-37(28)21-24-13-15-35-16-14-24)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(2,3)31(32,33)34;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)18-34-16-15-33(19-25(34)26(35)36)17-21-11-13-32-14-12-21;2*1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)17-33-15-16-34(25(19-33)26(35)36)18-21-11-13-32-14-12-21/h2*5-16,22,28H,17-21H2,1-4H3,(H,36,39);5-16,28H,4,17-22H2,1-3H3;4*3-14,25H,15-19H2,1-2H3,(H,35,36)/t3*28-;4*25-/m1011010/s1.
What are the key properties of ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid has a molecular weight of 3607.20 g/mol, XLogP of 39.27, 53 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;(2R)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2S)-N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2R)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;(2S)-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 158681909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).