tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid

C116H146N14O31 — CID 161017624

IUPACtert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O.CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1C(=O)O.COC(=O)C1CC(N)CCN1C(=O)OC(C)(C)C.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(NC(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)C1CC(NC(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C31H35N5O5.C31H35N3O8.C19H26N2O6.C12H22N2O4.C12H11NO3.C11H17NO5/c1-31(2,3)41-30(38)36-15-14-22(33-29(37)40-19-20-10-6-5-7-11-20)17-26(36)27-32-18-25(34-27)23-16-21-12-8-9-13-24(21)35-28(23)39-4;1-31(2,3)42-30(38)34-15-14-22(32-29(37)41-18-20-10-6-5-7-11-20)17-25(34)28(36)40-19-26(35)23-16-21-12-8-9-13-24(21)33-27(23)39-4;1-19(2,3)27-18(25)21-10-9-14(11-15(21)16(22)23)20-17(24)26-12-13-7-5-4-6-8-13;1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h5-13,16,18,22,26H,14-15,17,19H2,1-4H3,(H,32,34)(H,33,37);5-13,16,22,25H,14-15,17-19H2,1-4H3,(H,32,37);4-8,14-15H,9-12H2,1-3H3,(H,20,24)(H,22,23);8-9H,5-7,13H2,1-4H3;2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t22?,26-;;;;;/m0...../s1
InChIKeyTXXWWCDKIRSBHR-RDVRLJPJSA-N
MW2232.51 g/mol
LogP16.77
Rot. Bonds23

About tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid

tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid (PubChem CID 161017624) has the molecular formula C116H146N14O31 and a molecular weight of 2232.51 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid
PubChem CID161017624
Molecular FormulaC116H146N14O31
Molecular Weight2232.51 g/mol
Exact Mass2231.03
IUPAC Nametert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O.CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1C(=O)O.COC(=O)C1CC(N)CCN1C(=O)OC(C)(C)C.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(NC(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)C1CC(NC(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C31H35N5O5.C31H35N3O8.C19H26N2O6.C12H22N2O4.C12H11NO3.C11H17NO5/c1-31(2,3)41-30(38)36-15-14-22(33-29(37)40-19-20-10-6-5-7-11-20)17-26(36)27-32-18-25(34-27)23-16-21-12-8-9-13-24(21)35-28(23)39-4;1-31(2,3)42-30(38)34-15-14-22(32-29(37)41-18-20-10-6-5-7-11-20)17-25(34)28(36)40-19-26(35)23-16-21-12-8-9-13-24(21)33-27(23)39-4;1-19(2,3)27-18(25)21-10-9-14(11-15(21)16(22)23)20-17(24)26-12-13-7-5-4-6-8-13;1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h5-13,16,18,22,26H,14-15,17,19H2,1-4H3,(H,32,34)(H,33,37);5-13,16,22,25H,14-15,17-19H2,1-4H3,(H,32,37);4-8,14-15H,9-12H2,1-3H3,(H,20,24)(H,22,23);8-9H,5-7,13H2,1-4H3;2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t22?,26-;;;;;/m0...../s1
InChIKeyTXXWWCDKIRSBHR-RDVRLJPJSA-N
XLogP16.77
TPSA582.39 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.51
LogP ≤ 516.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
CID 158176642
acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
CID 158741207
potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 159829829
CID 160848607
CID 160848607
4-O-tert-butyl 3-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate;4-O-tert-butyl 3-O-methyl 1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate;2-(5-fluoro-2-methyl-1H-indol-3-yl)acetic acid;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-thiazinane 1,1-dioxide;4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
CID 157063424
CID 157184695
CID 157184695
4-[3-[4-[(3S,5R)-4-benzoyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[(3S,5R)-3,5-dimethyl-4-(pyridine-2-carbonyl)piperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;ethyl (2S,6R)-4-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylpiperazine-1-carboxylate;4-[3-[4-[(3S,5R)-4-(2-hydroxy-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[(3S,5R)-4-(1H-imidazole-2-carbonyl)-3,5-dimethylpiperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;methyl (2R,6S)-4-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylpiperazine-1-carboxylate;propyl (2S,6R)-4-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylpiperazine-1-carboxylate
CID 157217414
CID 160351188
CID 160351188
(2R,3R)-2,3-dihydroxybutanedioate;N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-3-ium-2-yl]-7-(methylamino)-7-oxoheptyl]-1-azoniabicyclo[2.2.2]octane-4-carboxamide
CID 160939711
N,N-dimethyl-2-(3-methyl-4-oxoquinolin-1-yl)acetamide;1,3-dimethylpyridin-4-one;1-(2-hydroxyethyl)-3-methylquinolin-4-one;1-(2-methoxyethyl)-3-methylquinolin-4-one;4-methoxy-3-methylquinoline;N-methyl-2-(3-methyl-4-oxoquinolin-1-yl)acetamide;3-methyl-1H-1,7-naphthyridin-4-one;3-methyl-1H-1,8-naphthyridin-4-one;2-(3-methyl-4-oxoquinolin-1-yl)acetamide;2-(3-methyl-4-oxoquinolin-1-yl)acetic acid;3-methyl-1H-pyridin-4-one;6-methyl-8H-pyrido[2,3-d]pyrimidin-5-one;3-methyl-1H-quinolin-4-one
CID 160969076
(9S)-9-amino-9-[5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl]nonan-3-one;tert-butyl N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl]-7-oxononyl]carbamate;2-chloro-1-(4-methoxyquinolin-2-yl)ethanone;methane;[2-(4-methoxyquinolin-2-yl)-2-oxoethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxodecanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxodecanoic acid;sulfane
CID 163556507
2-[[4-[3-[2-[[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzoic acid
CID 166923179

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid?
The IUPAC name of tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid (CID 161017624) is tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid?
The canonical SMILES for tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O.CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1C(=O)O.COC(=O)C1CC(N)CCN1C(=O)OC(C)(C)C.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(NC(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)C1CC(NC(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid?
The InChIKey is TXXWWCDKIRSBHR-RDVRLJPJSA-N. The full InChI is InChI=1S/C31H35N5O5.C31H35N3O8.C19H26N2O6.C12H22N2O4.C12H11NO3.C11H17NO5/c1-31(2,3)41-30(38)36-15-14-22(33-29(37)40-19-20-10-6-5-7-11-20)17-26(36)27-32-18-25(34-27)23-16-21-12-8-9-13-24(21)35-28(23)39-4;1-31(2,3)42-30(38)34-15-14-22(32-29(37)41-18-20-10-6-5-7-11-20)17-25(34)28(36)40-19-26(35)23-16-21-12-8-9-13-24(21)33-27(23)39-4;1-19(2,3)27-18(25)21-10-9-14(11-15(21)16(22)23)20-17(24)26-12-13-7-5-4-6-8-13;1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h5-13,16,18,22,26H,14-15,17,19H2,1-4H3,(H,32,34)(H,33,37);5-13,16,22,25H,14-15,17-19H2,1-4H3,(H,32,37);4-8,14-15H,9-12H2,1-3H3,(H,20,24)(H,22,23);8-9H,5-7,13H2,1-4H3;2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t22?,26-;;;;;/m0...../s1.
What are the key properties of tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid?
tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid has a molecular weight of 2232.51 g/mol, XLogP of 16.77, 23 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] 4-(phenylmethoxycarbonylamino)piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-aminopiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 161017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).