1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid

C124H151F3N22O30 — CID 158804358

IUPAC1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(N)=O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1n[nH]c([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)n1.COc1nc2ccccc2cc1C(=O)NN.[C-]#[N+]C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.[H]/N=C(\OC)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C29H32N6O5.C19H27N3O5.C18H25N3O5.C18H23N3O4.C18H24N2O6.C11H9F3N2O3.C11H11N3O2/c1-29(2,3)40-27(36)34-14-15-35(28(37)39-18-19-10-6-5-7-11-19)23(17-34)25-31-24(32-33-25)21-16-20-12-8-9-13-22(20)30-26(21)38-4;1-19(2,3)27-17(23)21-10-11-22(15(12-21)16(20)25-4)18(24)26-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)20-9-10-21(14(11-20)15(19)22)17(24)25-12-13-7-5-4-6-8-13;1-18(2,3)25-16(22)20-10-11-21(15(12-20)19-4)17(23)24-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-16-11-8(10(15)14-12)6-7-4-2-3-5-9(7)13-11/h5-13,16,23H,14-15,17-18H2,1-4H3,(H,31,32,33);5-9,15,20H,10-13H2,1-4H3;4-8,14H,9-12H2,1-3H3,(H2,19,22);5-9,15H,10-13H2,1-3H3;4-8,14H,9-12H2,1-3H3,(H,21,22);2-4H,5H2,1H3,(H,17,18);2-6H,12H2,1H3,(H,14,15)/b;20-16-;;;;;/t23-;;;;;;/m0....../s1
InChIKeyITWPFLZDAKARGU-JMVMQFRDSA-N
MW2486.69 g/mol
LogP18.00
Rot. Bonds21

About 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid

1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid (PubChem CID 158804358) has the molecular formula C124H151F3N22O30 and a molecular weight of 2486.69 g/mol. Its IUPAC name is 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
PubChem CID158804358
Molecular FormulaC124H151F3N22O30
Molecular Weight2486.69 g/mol
Exact Mass2485.09
IUPAC Name1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(N)=O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1n[nH]c([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)n1.COc1nc2ccccc2cc1C(=O)NN.[C-]#[N+]C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.[H]/N=C(\OC)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C29H32N6O5.C19H27N3O5.C18H25N3O5.C18H23N3O4.C18H24N2O6.C11H9F3N2O3.C11H11N3O2/c1-29(2,3)40-27(36)34-14-15-35(28(37)39-18-19-10-6-5-7-11-19)23(17-34)25-31-24(32-33-25)21-16-20-12-8-9-13-22(20)30-26(21)38-4;1-19(2,3)27-17(23)21-10-11-22(15(12-21)16(20)25-4)18(24)26-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)20-9-10-21(14(11-20)15(19)22)17(24)25-12-13-7-5-4-6-8-13;1-18(2,3)25-16(22)20-10-11-21(15(12-20)19-4)17(23)24-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-16-11-8(10(15)14-12)6-7-4-2-3-5-9(7)13-11/h5-13,16,23H,14-15,17-18H2,1-4H3,(H,31,32,33);5-9,15,20H,10-13H2,1-4H3;4-8,14H,9-12H2,1-3H3,(H2,19,22);5-9,15H,10-13H2,1-3H3;4-8,14H,9-12H2,1-3H3,(H,21,22);2-4H,5H2,1H3,(H,17,18);2-6H,12H2,1H3,(H,14,15)/b;20-16-;;;;;/t23-;;;;;;/m0....../s1
InChIKeyITWPFLZDAKARGU-JMVMQFRDSA-N
XLogP18.00
TPSA618.51 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.69
LogP ≤ 518.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-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
1-O-benzyl 4-O-tert-butyl (2S)-2-(N'-hydroxycarbamimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2R)-2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]piperazine-1,4-dicarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]-4-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate;2-methoxyquinoline-3-carboxylic acid;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 158704890
tert-butyl (3S)-3-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]-4-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate;1-[(2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;oxolane-3-carbaldehyde
CID 159262921
4-O-benzyl 1-O-tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepane-1,4-dicarboxylate;tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]-1,4-diazepane-1-carboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepan-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid
CID 161880189

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The IUPAC name of 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid (CID 158804358) is 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1.CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(N)=O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1n[nH]c([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)n1.COc1nc2ccccc2cc1C(=O)NN.[C-]#[N+]C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.[H]/N=C(\OC)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The InChIKey is ITWPFLZDAKARGU-JMVMQFRDSA-N. The full InChI is InChI=1S/C29H32N6O5.C19H27N3O5.C18H25N3O5.C18H23N3O4.C18H24N2O6.C11H9F3N2O3.C11H11N3O2/c1-29(2,3)40-27(36)34-14-15-35(28(37)39-18-19-10-6-5-7-11-19)23(17-34)25-31-24(32-33-25)21-16-20-12-8-9-13-22(20)30-26(21)38-4;1-19(2,3)27-17(23)21-10-11-22(15(12-21)16(20)25-4)18(24)26-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)20-9-10-21(14(11-20)15(19)22)17(24)25-12-13-7-5-4-6-8-13;1-18(2,3)25-16(22)20-10-11-21(15(12-20)19-4)17(23)24-13-14-8-6-5-7-9-14;1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-16-11-8(10(15)14-12)6-7-4-2-3-5-9(7)13-11/h5-13,16,23H,14-15,17-18H2,1-4H3,(H,31,32,33);5-9,15,20H,10-13H2,1-4H3;4-8,14H,9-12H2,1-3H3,(H2,19,22);5-9,15H,10-13H2,1-3H3;4-8,14H,9-12H2,1-3H3,(H,21,22);2-4H,5H2,1H3,(H,17,18);2-6H,12H2,1H3,(H,14,15)/b;20-16-;;;;;/t23-;;;;;;/m0....../s1.
What are the key properties of 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid has a molecular weight of 2486.69 g/mol, XLogP of 18.00, 21 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 158804358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).