bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one

C221H285F27N20O22 — CID 158934228

IUPACbis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(=O)CC2)CC1.COc1ccc(C2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(OC)CC3)CC2)cc1.O=C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1
InChIInChI=1S/C34H45F4N3O3.2C33H43F4N3O3.2C33H41F4N3O3.C22H29F3N2O3.C17H21F3N2O.C16H22FNO3/c1-32(2,3)41-21-29(24-6-9-26(43-4)10-7-24)33(35,22-41)31(42)40-16-12-23(13-17-40)28-11-8-25(34(36,37)38)20-30(28)39-18-14-27(44-5)15-19-39;4*1-31(2,3)40-20-28(23-5-8-26(43-4)9-6-23)32(34,21-40)30(42)39-15-11-22(12-16-39)27-10-7-24(33(35,36)37)19-29(27)38-17-13-25(41)14-18-38;1-21(2,3)30-20(29)27-10-6-15(7-11-27)18-5-4-16(22(23,24)25)14-19(18)26-12-8-17(28)9-13-26;18-17(19,20)13-1-2-15(12-3-7-21-8-4-12)16(11-13)22-9-5-14(23)6-10-22;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11/h6-11,20,23,27,29H,12-19,21-22H2,1-5H3;2*5-10,19,22,25,28,41H,11-18,20-21H2,1-4H3;2*5-10,19,22,28H,11-18,20-21H2,1-4H3;4-5,14-15H,6-13H2,1-3H3;1-2,11-12,21H,3-10H2;5-8,13H,9-10H2,1-4H3,(H,19,20)/t29-,33-;4*28-,32-;;;13?,16-/m00000..0/s1
InChIKeyJJLHZRHAKCHIOH-VNBYVJGASA-N
MW4086.77 g/mol
LogP42.02
Rot. Bonds33

About bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one

bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one (PubChem CID 158934228) has the molecular formula C221H285F27N20O22 and a molecular weight of 4086.77 g/mol. Its IUPAC name is bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one.

Molecular Properties

Compound Namebis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one
PubChem CID158934228
Molecular FormulaC221H285F27N20O22
Molecular Weight4086.77 g/mol
Exact Mass4084.14
IUPAC Namebis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(=O)CC2)CC1.COc1ccc(C2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(OC)CC3)CC2)cc1.O=C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1
InChIInChI=1S/C34H45F4N3O3.2C33H43F4N3O3.2C33H41F4N3O3.C22H29F3N2O3.C17H21F3N2O.C16H22FNO3/c1-32(2,3)41-21-29(24-6-9-26(43-4)10-7-24)33(35,22-41)31(42)40-16-12-23(13-17-40)28-11-8-25(34(36,37)38)20-30(28)39-18-14-27(44-5)15-19-39;4*1-31(2,3)40-20-28(23-5-8-26(43-4)9-6-23)32(34,21-40)30(42)39-15-11-22(12-16-39)27-10-7-24(33(35,36)37)19-29(27)38-17-13-25(41)14-18-38;1-21(2,3)30-20(29)27-10-6-15(7-11-27)18-5-4-16(22(23,24)25)14-19(18)26-12-8-17(28)9-13-26;18-17(19,20)13-1-2-15(12-3-7-21-8-4-12)16(11-13)22-9-5-14(23)6-10-22;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11/h6-11,20,23,27,29H,12-19,21-22H2,1-5H3;2*5-10,19,22,25,28,41H,11-18,20-21H2,1-4H3;2*5-10,19,22,28H,11-18,20-21H2,1-4H3;4-5,14-15H,6-13H2,1-3H3;1-2,11-12,21H,3-10H2;5-8,13H,9-10H2,1-4H3,(H,19,20)/t29-,33-;4*28-,32-;;;13?,16-/m00000..0/s1
InChIKeyJJLHZRHAKCHIOH-VNBYVJGASA-N
XLogP42.02
TPSA395.89 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004086.77
LogP ≤ 542.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 118550895
1-[2-[1-[(3R,4R)-1-tert-butyl-4-(4-ethoxyphenyl)-3-fluoropyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 126749262
1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-methylphenyl]piperidine-4-carboxylic acid
CID 126749496
1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 130187034
(3R,4S)-1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 118550958
1-[2-[(3S,4R)-1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;dihydrochloride
CID 129314830
benzyl 4-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenoxy]-2,2-dimethylbutanoate;benzyl 2,2-dimethyl-4-[2-piperidin-4-yl-5-(trifluoromethyl)phenoxy]butanoate;4-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenoxy]-2,2-dimethylbutanoic acid;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 161196786
[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-prop-2-ynoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 130187157
1-[2-[(3S,4R)-1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-cyanopyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;dihydrochloride
CID 126736908
anisole;4-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxylic acid
CID 144968526
1-[2-[(3S,4R)-1-[(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-(4-oxocyclohexyl)pyrrolidine-3-carbonyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;dihydrochloride
CID 126736882
1-[2-[1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4,4-dimethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 126736886

Frequently Asked Questions

What is the IUPAC name of bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one?
The IUPAC name of bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one (CID 158934228) is bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one.
What is the SMILES notation for bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one?
The canonical SMILES for bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one is CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(=O)CC2)CC1.COc1ccc(C2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(=O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(O)CC3)CC2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(OC)CC3)CC2)cc1.O=C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1.
What is the InChIKey of bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one?
The InChIKey is JJLHZRHAKCHIOH-VNBYVJGASA-N. The full InChI is InChI=1S/C34H45F4N3O3.2C33H43F4N3O3.2C33H41F4N3O3.C22H29F3N2O3.C17H21F3N2O.C16H22FNO3/c1-32(2,3)41-21-29(24-6-9-26(43-4)10-7-24)33(35,22-41)31(42)40-16-12-23(13-17-40)28-11-8-25(34(36,37)38)20-30(28)39-18-14-27(44-5)15-19-39;4*1-31(2,3)40-20-28(23-5-8-26(43-4)9-6-23)32(34,21-40)30(42)39-15-11-22(12-16-39)27-10-7-24(33(35,36)37)19-29(27)38-17-13-25(41)14-18-38;1-21(2,3)30-20(29)27-10-6-15(7-11-27)18-5-4-16(22(23,24)25)14-19(18)26-12-8-17(28)9-13-26;18-17(19,20)13-1-2-15(12-3-7-21-8-4-12)16(11-13)22-9-5-14(23)6-10-22;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11/h6-11,20,23,27,29H,12-19,21-22H2,1-5H3;2*5-10,19,22,25,28,41H,11-18,20-21H2,1-4H3;2*5-10,19,22,28H,11-18,20-21H2,1-4H3;4-5,14-15H,6-13H2,1-3H3;1-2,11-12,21H,3-10H2;5-8,13H,9-10H2,1-4H3,(H,19,20)/t29-,33-;4*28-,32-;;;13?,16-/m00000..0/s1.
What are the key properties of bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one?
bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one has a molecular weight of 4086.77 g/mol, XLogP of 42.02, 33 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-one);(3R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;bis([(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidin-3-yl]-[4-[2-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tert-butyl 4-[2-(4-oxopiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate;1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidin-4-one is sourced from PubChem (CID 158934228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).