N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid

C128H153Cl4F15N22O12S — CID 158163831

IUPACN-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)Cc2cccc(Cl)c2)C1.CS(=O)(=O)Nc1cccc(C(=O)N2CCCC(C(N)Cc3cccc(Cl)c3)C2)c1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cccc(Cl)c1)C1CCCNC1.NC(Cc1cccc(Cl)c1)C1CCN(c2ncccn2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ncccn2)CC1.O=CO.O=CO
InChIInChI=1S/C21H26ClN3O3S.C20H19F6N3O.C19H18F6N4O.C18H27ClN2O2.C18H19F3N4O.C17H21ClN4.C13H19ClN2.2CH2O2/c1-29(27,28)24-19-9-3-6-16(13-19)21(26)25-10-4-7-17(14-25)20(23)12-15-5-2-8-18(22)11-15;21-14-9-16(23)15(22)7-13(14)8-17(27)11-3-5-29(6-4-11)19(30)12-1-2-18(28-10-12)20(24,25)26;20-12-7-11(16(22)13(21)9-12)8-14(26)10-2-5-29(6-3-10)17(30)15-1-4-27-18(28-15)19(23,24)25;1-18(2,3)23-17(22)21-9-5-7-14(12-21)16(20)11-13-6-4-8-15(19)10-13;19-13-8-12(16(21)14(20)10-13)9-15(22)11-2-6-25(7-3-11)18(26)17-23-4-1-5-24-17;18-15-4-1-3-13(11-15)12-16(19)14-5-9-22(10-6-14)17-20-7-2-8-21-17;14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11;2*2-1-3/h2-3,5-6,8-9,11,13,17,20,24H,4,7,10,12,14,23H2,1H3;1-2,7,9-11,17H,3-6,8,27H2;1,4,7,9-10,14H,2-3,5-6,8,26H2;4,6,8,10,14,16H,5,7,9,11-12,20H2,1-3H3;1,4-5,8,10-11,15H,2-3,6-7,9,22H2;1-4,7-8,11,14,16H,5-6,9-10,12,19H2;1,3,5,7,11,13,16H,2,4,6,8-9,15H2;2*1H,(H,2,3)/t;;14-;;15-;;;;/m..1.1..../s1
InChIKeyFWPGIINAXXOCGC-JTWZESMCSA-N
MW2650.62 g/mol
LogP21.11
Rot. Bonds28

About N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid

N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid (PubChem CID 158163831) has the molecular formula C128H153Cl4F15N22O12S and a molecular weight of 2650.62 g/mol. Its IUPAC name is N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid.

Molecular Properties

Compound NameN-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid
PubChem CID158163831
Molecular FormulaC128H153Cl4F15N22O12S
Molecular Weight2650.62 g/mol
Exact Mass2647.03
IUPAC NameN-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)Cc2cccc(Cl)c2)C1.CS(=O)(=O)Nc1cccc(C(=O)N2CCCC(C(N)Cc3cccc(Cl)c3)C2)c1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cccc(Cl)c1)C1CCCNC1.NC(Cc1cccc(Cl)c1)C1CCN(c2ncccn2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ncccn2)CC1.O=CO.O=CO
InChIInChI=1S/C21H26ClN3O3S.C20H19F6N3O.C19H18F6N4O.C18H27ClN2O2.C18H19F3N4O.C17H21ClN4.C13H19ClN2.2CH2O2/c1-29(27,28)24-19-9-3-6-16(13-19)21(26)25-10-4-7-17(14-25)20(23)12-15-5-2-8-18(22)11-15;21-14-9-16(23)15(22)7-13(14)8-17(27)11-3-5-29(6-4-11)19(30)12-1-2-18(28-10-12)20(24,25)26;20-12-7-11(16(22)13(21)9-12)8-14(26)10-2-5-29(6-3-10)17(30)15-1-4-27-18(28-15)19(23,24)25;1-18(2,3)23-17(22)21-9-5-7-14(12-21)16(20)11-13-6-4-8-15(19)10-13;19-13-8-12(16(21)14(20)10-13)9-15(22)11-2-6-25(7-3-11)18(26)17-23-4-1-5-24-17;18-15-4-1-3-13(11-15)12-16(19)14-5-9-22(10-6-14)17-20-7-2-8-21-17;14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11;2*2-1-3/h2-3,5-6,8-9,11,13,17,20,24H,4,7,10,12,14,23H2,1H3;1-2,7,9-11,17H,3-6,8,27H2;1,4,7,9-10,14H,2-3,5-6,8,26H2;4,6,8,10,14,16H,5,7,9,11-12,20H2,1-3H3;1,4-5,8,10-11,15H,2-3,6-7,9,22H2;1-4,7-8,11,14,16H,5-6,9-10,12,19H2;1,3,5,7,11,13,16H,2,4,6,8-9,15H2;2*1H,(H,2,3)/t;;14-;;15-;;;;/m..1.1..../s1
InChIKeyFWPGIINAXXOCGC-JTWZESMCSA-N
XLogP21.11
TPSA519.19 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.62
LogP ≤ 521.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid with MolForge

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Related Compounds

[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
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-[2-chloropropan-2-ylsulfinyl(methyl)amino]benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159414452
[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
1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)
CID 161312947
CID 161773972
CID 161773972
2-amino-N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]acetamide;tert-butyl N-[2-[[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate;N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-2-(dimethylamino)acetamide;N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide;4-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 157680725
[6-[(3-Chloro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(3-chloro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 157681413
[6-[(5-Chloro-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-chloro-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 158536918
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;6-(bromomethyl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carboxamide;N-[4-chloro-3-[(4-fluorobenzoyl)amino]phenyl]-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 161507875

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid?
The IUPAC name of N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid (CID 158163831) is N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid.
What is the SMILES notation for N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid?
The canonical SMILES for N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid is CC(C)(C)OC(=O)N1CCCC(C(N)Cc2cccc(Cl)c2)C1.CS(=O)(=O)Nc1cccc(C(=O)N2CCCC(C(N)Cc3cccc(Cl)c3)C2)c1.NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cccc(Cl)c1)C1CCCNC1.NC(Cc1cccc(Cl)c1)C1CCN(c2ncccn2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ccnc(C(F)(F)F)n2)CC1.N[C@H](Cc1cc(F)cc(F)c1F)C1CCN(C(=O)c2ncccn2)CC1.O=CO.O=CO.
What is the InChIKey of N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid?
The InChIKey is FWPGIINAXXOCGC-JTWZESMCSA-N. The full InChI is InChI=1S/C21H26ClN3O3S.C20H19F6N3O.C19H18F6N4O.C18H27ClN2O2.C18H19F3N4O.C17H21ClN4.C13H19ClN2.2CH2O2/c1-29(27,28)24-19-9-3-6-16(13-19)21(26)25-10-4-7-17(14-25)20(23)12-15-5-2-8-18(22)11-15;21-14-9-16(23)15(22)7-13(14)8-17(27)11-3-5-29(6-4-11)19(30)12-1-2-18(28-10-12)20(24,25)26;20-12-7-11(16(22)13(21)9-12)8-14(26)10-2-5-29(6-3-10)17(30)15-1-4-27-18(28-15)19(23,24)25;1-18(2,3)23-17(22)21-9-5-7-14(12-21)16(20)11-13-6-4-8-15(19)10-13;19-13-8-12(16(21)14(20)10-13)9-15(22)11-2-6-25(7-3-11)18(26)17-23-4-1-5-24-17;18-15-4-1-3-13(11-15)12-16(19)14-5-9-22(10-6-14)17-20-7-2-8-21-17;14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11;2*2-1-3/h2-3,5-6,8-9,11,13,17,20,24H,4,7,10,12,14,23H2,1H3;1-2,7,9-11,17H,3-6,8,27H2;1,4,7,9-10,14H,2-3,5-6,8,26H2;4,6,8,10,14,16H,5,7,9,11-12,20H2,1-3H3;1,4-5,8,10-11,15H,2-3,6-7,9,22H2;1-4,7-8,11,14,16H,5-6,9-10,12,19H2;1,3,5,7,11,13,16H,2,4,6,8-9,15H2;2*1H,(H,2,3)/t;;14-;;15-;;;;/m..1.1..../s1.
What are the key properties of N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid?
N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid has a molecular weight of 2650.62 g/mol, XLogP of 21.11, 28 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid is sourced from PubChem (CID 158163831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).