benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate

C202H238ClF6N31O33 — CID 159338983

IUPACbenzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3cc(C)[nH]c3C)CC2)cc1.Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(Cl)c3)CC2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cc[nH]c3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3ccn[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cn[nH]c3)C2)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cn[nH]c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(C(F)(F)F)c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(F)c1F.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)cn1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(F)c1
InChIInChI=1S/C22H23F3N2O4.C22H29N3O3.C21H24ClN3O3.C21H22F2N2O4.C20H22FN3O3.C20H23N3O4.C20H25N3O3.2C19H24N4O3.C18H22N4O3/c23-22(24,25)18-12-17(6-7-19(18)28)20(29)26-13-15-8-10-27(11-9-15)21(30)31-14-16-4-2-1-3-5-16;1-15-4-6-19(7-5-15)14-28-22(27)25-10-8-18(9-11-25)13-23-21(26)20-12-16(2)24-17(20)3;1-15-2-4-17(5-3-15)14-28-21(27)25-10-7-16(8-11-25)13-24-20(26)18-6-9-23-19(22)12-18;22-18-16(6-7-17(26)19(18)23)20(27)24-12-14-8-10-25(11-9-14)21(28)29-13-15-4-2-1-3-5-15;21-18-12-17(6-9-22-18)19(25)23-13-15-7-10-24(11-8-15)20(26)27-14-16-4-2-1-3-5-16;24-17-6-7-18(21-13-17)19(25)22-12-15-8-10-23(11-9-15)20(26)27-14-16-4-2-1-3-5-16;1-15-4-6-16(7-5-15)14-26-20(25)23-10-2-3-17(13-23)11-22-19(24)18-8-9-21-12-18;1-14-4-6-15(7-5-14)13-26-19(25)23-10-2-3-16(12-23)11-20-18(24)17-8-9-21-22-17;1-14-4-6-15(7-5-14)13-26-19(25)23-8-2-3-16(12-23)9-20-18(24)17-10-21-22-11-17;23-17(16-10-20-21-11-16)19-9-15-7-4-8-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-7,12,15,28H,8-11,13-14H2,(H,26,29);4-7,12,18,24H,8-11,13-14H2,1-3H3,(H,23,26);2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,24,26);1-7,14,26H,8-13H2,(H,24,27);1-6,9,12,15H,7-8,10-11,13-14H2,(H,23,25);1-7,13,15,24H,8-12,14H2,(H,22,25);4-9,12,17,21H,2-3,10-11,13-14H2,1H3,(H,22,24);4-9,16H,2-3,10-13H2,1H3,(H,20,24)(H,21,22);4-7,10-11,16H,2-3,8-9,12-13H2,1H3,(H,20,24)(H,21,22);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,23)(H,20,21)
InChIKeyLFXAKKVGAJEPEF-UHFFFAOYSA-N
MW3777.75 g/mol
LogP31.03
Rot. Bonds50

About benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate

benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 159338983) has the molecular formula C202H238ClF6N31O33 and a molecular weight of 3777.75 g/mol. Its IUPAC name is benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID159338983
Molecular FormulaC202H238ClF6N31O33
Molecular Weight3777.75 g/mol
Exact Mass3774.75
IUPAC Namebenzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3cc(C)[nH]c3C)CC2)cc1.Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(Cl)c3)CC2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cc[nH]c3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3ccn[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cn[nH]c3)C2)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cn[nH]c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(C(F)(F)F)c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(F)c1F.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)cn1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(F)c1
InChIInChI=1S/C22H23F3N2O4.C22H29N3O3.C21H24ClN3O3.C21H22F2N2O4.C20H22FN3O3.C20H23N3O4.C20H25N3O3.2C19H24N4O3.C18H22N4O3/c23-22(24,25)18-12-17(6-7-19(18)28)20(29)26-13-15-8-10-27(11-9-15)21(30)31-14-16-4-2-1-3-5-16;1-15-4-6-19(7-5-15)14-28-22(27)25-10-8-18(9-11-25)13-23-21(26)20-12-16(2)24-17(20)3;1-15-2-4-17(5-3-15)14-28-21(27)25-10-7-16(8-11-25)13-24-20(26)18-6-9-23-19(22)12-18;22-18-16(6-7-17(26)19(18)23)20(27)24-12-14-8-10-25(11-9-14)21(28)29-13-15-4-2-1-3-5-15;21-18-12-17(6-9-22-18)19(25)23-13-15-7-10-24(11-8-15)20(26)27-14-16-4-2-1-3-5-16;24-17-6-7-18(21-13-17)19(25)22-12-15-8-10-23(11-9-15)20(26)27-14-16-4-2-1-3-5-16;1-15-4-6-16(7-5-15)14-26-20(25)23-10-2-3-17(13-23)11-22-19(24)18-8-9-21-12-18;1-14-4-6-15(7-5-14)13-26-19(25)23-10-2-3-16(12-23)11-20-18(24)17-8-9-21-22-17;1-14-4-6-15(7-5-14)13-26-19(25)23-8-2-3-16(12-23)9-20-18(24)17-10-21-22-11-17;23-17(16-10-20-21-11-16)19-9-15-7-4-8-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-7,12,15,28H,8-11,13-14H2,(H,26,29);4-7,12,18,24H,8-11,13-14H2,1-3H3,(H,23,26);2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,24,26);1-7,14,26H,8-13H2,(H,24,27);1-6,9,12,15H,7-8,10-11,13-14H2,(H,23,25);1-7,13,15,24H,8-12,14H2,(H,22,25);4-9,12,17,21H,2-3,10-11,13-14H2,1H3,(H,22,24);4-9,16H,2-3,10-13H2,1H3,(H,20,24)(H,21,22);4-7,10-11,16H,2-3,8-9,12-13H2,1H3,(H,20,24)(H,21,22);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,23)(H,20,21)
InChIKeyLFXAKKVGAJEPEF-UHFFFAOYSA-N
XLogP31.03
TPSA803.38 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003777.75
LogP ≤ 531.03
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

CID 159045419
CID 159045419
CID 159900308
CID 159900308
CID 161638115
CID 161638115
CID 162052644
CID 162052644
CID 162205514
CID 162205514
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 158244456
(4-chlorophenyl)methyl 4-fluoro-4-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;4-hydroxy-N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]benzamide;(4-methylphenyl)methyl 4-fluoro-4-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-fluoro-4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;(5-methylthiophen-2-yl)methyl 4-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;(5-methylthiophen-2-yl)methyl 4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 160417436
bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide
CID 160546681
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 160926764

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate (CID 159338983) is benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNC(=O)c3cc(C)[nH]c3C)CC2)cc1.Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(Cl)c3)CC2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cc[nH]c3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3ccn[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCCC(CNC(=O)c3cn[nH]c3)C2)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cn[nH]c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(C(F)(F)F)c1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)c(F)c1F.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(O)cn1.O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(F)c1.
What is the InChIKey of benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is LFXAKKVGAJEPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4.C22H29N3O3.C21H24ClN3O3.C21H22F2N2O4.C20H22FN3O3.C20H23N3O4.C20H25N3O3.2C19H24N4O3.C18H22N4O3/c23-22(24,25)18-12-17(6-7-19(18)28)20(29)26-13-15-8-10-27(11-9-15)21(30)31-14-16-4-2-1-3-5-16;1-15-4-6-19(7-5-15)14-28-22(27)25-10-8-18(9-11-25)13-23-21(26)20-12-16(2)24-17(20)3;1-15-2-4-17(5-3-15)14-28-21(27)25-10-7-16(8-11-25)13-24-20(26)18-6-9-23-19(22)12-18;22-18-16(6-7-17(26)19(18)23)20(27)24-12-14-8-10-25(11-9-14)21(28)29-13-15-4-2-1-3-5-15;21-18-12-17(6-9-22-18)19(25)23-13-15-7-10-24(11-8-15)20(26)27-14-16-4-2-1-3-5-16;24-17-6-7-18(21-13-17)19(25)22-12-15-8-10-23(11-9-15)20(26)27-14-16-4-2-1-3-5-16;1-15-4-6-16(7-5-15)14-26-20(25)23-10-2-3-17(13-23)11-22-19(24)18-8-9-21-12-18;1-14-4-6-15(7-5-14)13-26-19(25)23-10-2-3-16(12-23)11-20-18(24)17-8-9-21-22-17;1-14-4-6-15(7-5-14)13-26-19(25)23-8-2-3-16(12-23)9-20-18(24)17-10-21-22-11-17;23-17(16-10-20-21-11-16)19-9-15-7-4-8-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-7,12,15,28H,8-11,13-14H2,(H,26,29);4-7,12,18,24H,8-11,13-14H2,1-3H3,(H,23,26);2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,24,26);1-7,14,26H,8-13H2,(H,24,27);1-6,9,12,15H,7-8,10-11,13-14H2,(H,23,25);1-7,13,15,24H,8-12,14H2,(H,22,25);4-9,12,17,21H,2-3,10-11,13-14H2,1H3,(H,22,24);4-9,16H,2-3,10-13H2,1H3,(H,20,24)(H,21,22);4-7,10-11,16H,2-3,8-9,12-13H2,1H3,(H,20,24)(H,21,22);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,23)(H,20,21).
What are the key properties of benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 3777.75 g/mol, XLogP of 31.03, 50 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(2,3-difluoro-4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(2-fluoropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[(5-hydroxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;benzyl 4-[[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2-chloropyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;(4-methylphenyl)methyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 159338983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).