[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone

C145H157F27N14O16 — CID 157061881

IUPAC[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@@H]1CN(CC2CC2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O4.2C21H21F6N3O2.2C21H22F3NO2.C20H22F3NO2.C19H25F3N2O2/c1-15-13-26(14-16-3-9-19(10-4-16)28(31)32)11-12-27(15)20(29)17-5-7-18(8-6-17)21(2,30)22(23,24)25;2*1-13-12-29(17-16(20(22,23)24)4-3-9-28-17)10-11-30(13)18(31)14-5-7-15(8-6-14)19(2,32)21(25,26)27;2*1-14(15-6-4-3-5-7-15)25(18-12-13-18)19(26)16-8-10-17(11-9-16)20(2,27)21(22,23)24;1-4-24(14(2)15-8-6-5-7-9-15)18(25)16-10-12-17(13-11-16)19(3,26)20(21,22)23;1-13-11-23(12-14-3-4-14)9-10-24(13)17(25)15-5-7-16(8-6-15)18(2,26)19(20,21)22/h3-10,15,30H,11-14H2,1-2H3;2*3-9,13,32H,10-12H2,1-2H3;2*3-11,14,18,27H,12-13H2,1-2H3;5-14,26H,4H2,1-3H3;5-8,13-14,26H,3-4,9-12H2,1-2H3/t15-,21+;13-,19+;13-,19-;14-,20+;14-,20-;14-,19-;13-,18+/m1101001/s1
InChIKeyABKQOOFQQSTGMI-GHSXOHPUSA-N
MW2864.88 g/mol
LogP29.49
Rot. Bonds30

About [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone

[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone (PubChem CID 157061881) has the molecular formula C145H157F27N14O16 and a molecular weight of 2864.88 g/mol. Its IUPAC name is [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
PubChem CID157061881
Molecular FormulaC145H157F27N14O16
Molecular Weight2864.88 g/mol
Exact Mass2863.15
IUPAC Name[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@@H]1CN(CC2CC2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O4.2C21H21F6N3O2.2C21H22F3NO2.C20H22F3NO2.C19H25F3N2O2/c1-15-13-26(14-16-3-9-19(10-4-16)28(31)32)11-12-27(15)20(29)17-5-7-18(8-6-17)21(2,30)22(23,24)25;2*1-13-12-29(17-16(20(22,23)24)4-3-9-28-17)10-11-30(13)18(31)14-5-7-15(8-6-14)19(2,32)21(25,26)27;2*1-14(15-6-4-3-5-7-15)25(18-12-13-18)19(26)16-8-10-17(11-9-16)20(2,27)21(22,23)24;1-4-24(14(2)15-8-6-5-7-9-15)18(25)16-10-12-17(13-11-16)19(3,26)20(21,22)23;1-13-11-23(12-14-3-4-14)9-10-24(13)17(25)15-5-7-16(8-6-15)18(2,26)19(20,21)22/h3-10,15,30H,11-14H2,1-2H3;2*3-9,13,32H,10-12H2,1-2H3;2*3-11,14,18,27H,12-13H2,1-2H3;5-14,26H,4H2,1-3H3;5-8,13-14,26H,3-4,9-12H2,1-2H3/t15-,21+;13-,19+;13-,19-;14-,20+;14-,20-;14-,19-;13-,18+/m1101001/s1
InChIKeyABKQOOFQQSTGMI-GHSXOHPUSA-N
XLogP29.49
TPSA365.66 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002864.88
LogP ≤ 529.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?
The IUPAC name of [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone (CID 157061881) is [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone.
What is the SMILES notation for [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?
The canonical SMILES for [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@@H]1CN(CC2CC2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.C[C@H](c1ccccc1)N(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CC1.C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?
The InChIKey is ABKQOOFQQSTGMI-GHSXOHPUSA-N. The full InChI is InChI=1S/C22H24F3N3O4.2C21H21F6N3O2.2C21H22F3NO2.C20H22F3NO2.C19H25F3N2O2/c1-15-13-26(14-16-3-9-19(10-4-16)28(31)32)11-12-27(15)20(29)17-5-7-18(8-6-17)21(2,30)22(23,24)25;2*1-13-12-29(17-16(20(22,23)24)4-3-9-28-17)10-11-30(13)18(31)14-5-7-15(8-6-14)19(2,32)21(25,26)27;2*1-14(15-6-4-3-5-7-15)25(18-12-13-18)19(26)16-8-10-17(11-9-16)20(2,27)21(22,23)24;1-4-24(14(2)15-8-6-5-7-9-15)18(25)16-10-12-17(13-11-16)19(3,26)20(21,22)23;1-13-11-23(12-14-3-4-14)9-10-24(13)17(25)15-5-7-16(8-6-15)18(2,26)19(20,21)22/h3-10,15,30H,11-14H2,1-2H3;2*3-9,13,32H,10-12H2,1-2H3;2*3-11,14,18,27H,12-13H2,1-2H3;5-14,26H,4H2,1-3H3;5-8,13-14,26H,3-4,9-12H2,1-2H3/t15-,21+;13-,19+;13-,19-;14-,20+;14-,20-;14-,19-;13-,18+/m1101001/s1.
What are the key properties of [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone?
[(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone has a molecular weight of 2864.88 g/mol, XLogP of 29.49, 30 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;N-cyclopropyl-N-[(1R)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-ethyl-N-[(1S)-1-phenylethyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[(2R)-2-methyl-4-[(4-nitrophenyl)methyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone;[(2S)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone is sourced from PubChem (CID 157061881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).