[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

C133H131Cl7F30N28O7 — CID 159994699

IUPAC[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESNC(Cc1cccc(Cl)c1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(Cl)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(Cl)ccc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(F)c(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1
InChIInChI=1S/2C19H18ClF5N4O.5C19H19ClF4N4O/c20-12-7-11(13(21)9-14(12)22)8-15(26)10-2-5-29(6-3-10)17(30)16-1-4-27-18(28-16)19(23,24)25;20-13-7-14(21)11(5-15(13)22)6-16(26)10-1-3-29(4-2-10)17(30)12-8-27-18(28-9-12)19(23,24)25;20-14-1-2-15(21)12(7-14)8-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-2-1-12(15(21)8-14)7-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;2*20-14-7-11(1-2-15(14)21)8-16(25)12-3-5-28(6-4-12)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-3-1-2-12(16(14)21)8-15(25)11-4-6-28(7-5-11)17(29)13-9-26-18(27-10-13)19(22,23)24/h1,4,7,9-10,15H,2-3,5-6,8,26H2;5,7-10,16H,1-4,6,26H2;1-2,7,9-11,16H,3-6,8,25H2;1-2,8-11,16H,3-7,25H2;2*1-2,7,9-10,12,16H,3-6,8,25H2;1-3,9-11,15H,4-8,25H2/t15-;5*16-;/m111111./s1
InChIKeyOHJURWCSZCRAFM-UIJIPXNTSA-N
MW3051.81 g/mol
LogP26.25
Rot. Bonds28

About [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 159994699) has the molecular formula C133H131Cl7F30N28O7 and a molecular weight of 3051.81 g/mol. Its IUPAC name is [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID159994699
Molecular FormulaC133H131Cl7F30N28O7
Molecular Weight3051.81 g/mol
Exact Mass3046.81
IUPAC Name[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESNC(Cc1cccc(Cl)c1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(Cl)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(Cl)ccc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(F)c(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1
InChIInChI=1S/2C19H18ClF5N4O.5C19H19ClF4N4O/c20-12-7-11(13(21)9-14(12)22)8-15(26)10-2-5-29(6-3-10)17(30)16-1-4-27-18(28-16)19(23,24)25;20-13-7-14(21)11(5-15(13)22)6-16(26)10-1-3-29(4-2-10)17(30)12-8-27-18(28-9-12)19(23,24)25;20-14-1-2-15(21)12(7-14)8-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-2-1-12(15(21)8-14)7-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;2*20-14-7-11(1-2-15(14)21)8-16(25)12-3-5-28(6-4-12)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-3-1-2-12(16(14)21)8-15(25)11-4-6-28(7-5-11)17(29)13-9-26-18(27-10-13)19(22,23)24/h1,4,7,9-10,15H,2-3,5-6,8,26H2;5,7-10,16H,1-4,6,26H2;1-2,7,9-11,16H,3-6,8,25H2;1-2,8-11,16H,3-7,25H2;2*1-2,7,9-10,12,16H,3-6,8,25H2;1-3,9-11,15H,4-8,25H2/t15-;5*16-;/m111111./s1
InChIKeyOHJURWCSZCRAFM-UIJIPXNTSA-N
XLogP26.25
TPSA504.77 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003051.81
LogP ≤ 526.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
[4-[[5-[2-(Cyclohexylamino)pyrimidin-4-yl]-4-(3,4-dichlorophenyl)-2-piperidin-4-ylimidazol-1-yl]methyl]piperidin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 58263739
[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
CID 59009436
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxamide
CID 68260852
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 87610811
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrimidin-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123893427
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone);tert-butyl 4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate;formic acid
CID 157124386
[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 157127462
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 159994699) is [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is NC(Cc1cccc(Cl)c1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(Cl)c(F)cc1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(Cl)ccc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(F)c(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(Cl)cc1F)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.N[C@H](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1.
What is the InChIKey of [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is OHJURWCSZCRAFM-UIJIPXNTSA-N. The full InChI is InChI=1S/2C19H18ClF5N4O.5C19H19ClF4N4O/c20-12-7-11(13(21)9-14(12)22)8-15(26)10-2-5-29(6-3-10)17(30)16-1-4-27-18(28-16)19(23,24)25;20-13-7-14(21)11(5-15(13)22)6-16(26)10-1-3-29(4-2-10)17(30)12-8-27-18(28-9-12)19(23,24)25;20-14-1-2-15(21)12(7-14)8-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-2-1-12(15(21)8-14)7-16(25)11-3-5-28(6-4-11)17(29)13-9-26-18(27-10-13)19(22,23)24;2*20-14-7-11(1-2-15(14)21)8-16(25)12-3-5-28(6-4-12)17(29)13-9-26-18(27-10-13)19(22,23)24;20-14-3-1-2-12(16(14)21)8-15(25)11-4-6-28(7-5-11)17(29)13-9-26-18(27-10-13)19(22,23)24/h1,4,7,9-10,15H,2-3,5-6,8,26H2;5,7-10,16H,1-4,6,26H2;1-2,7,9-11,16H,3-6,8,25H2;1-2,8-11,16H,3-7,25H2;2*1-2,7,9-10,12,16H,3-6,8,25H2;1-3,9-11,15H,4-8,25H2/t15-;5*16-;/m111111./s1.
What are the key properties of [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 3051.81 g/mol, XLogP of 26.25, 28 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-amino-2-(4-chloro-2,5-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;bis([4-[(1R)-1-amino-2-(3-chloro-4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone);[4-[(1R)-1-amino-2-(4-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[(1R)-1-amino-2-(5-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone;[4-[1-amino-2-(3-chloro-2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 159994699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).