benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C150H188Cl4N28O20S3 — CID 158273203

About benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158273203) has the molecular formula C150H188Cl4N28O20S3 and a molecular weight of 2941.34 g/mol. Its IUPAC name is benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158273203
• Molecular Formula: C150H188Cl4N28O20S3
• Molecular Weight: 2941.34 g/mol
• Exact Mass: 2937.25
• IUPAC Name: benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1.CCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)OCc2ccccc2)C1.CCN(c1ncnc2[nH]ccc12)C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCN(C(=O)OCc2ccccc2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCNC1.CCNC1CCCN(C(=O)OCc2ccccc2)C1
• InChI: InChI=1S/C28H30Cl2N6O3S.C28H31N5O4S.C21H24Cl2N6O.C20H25N5O2S.C20H30N2O4.C18H26N2O4.C15H22N2O2/c1-3-35(23-5-4-11-34(17-23)26(37)16-31-22-14-20(29)13-21(30)15-22)27-25-10-12-36(28(25)33-18-32-27)40(38,39)24-8-6-19(2)7-9-24;1-3-32(23-10-7-16-31(18-23)28(34)37-19-22-8-5-4-6-9-22)26-25-15-17-33(27(25)30-20-29-26)38(35,36)24-13-11-21(2)12-14-24;1-2-29(21-18-5-6-24-20(18)26-13-27-21)17-4-3-7-28(12-17)19(30)11-25-16-9-14(22)8-15(23)10-16;1-3-24(16-5-4-11-21-13-16)19-18-10-12-25(20(18)23-14-22-19)28(26,27)17-8-6-15(2)7-9-17;1-5-22(19(24)26-20(2,3)4)17-12-9-13-21(14-17)18(23)25-15-16-10-7-6-8-11-16;1-18(2,3)24-16(21)19-15-10-7-11-20(12-15)17(22)23-13-14-8-5-4-6-9-14;1-2-16-14-9-6-10-17(11-14)15(18)19-12-13-7-4-3-5-8-13/h6-10,12-15,18,23,31H,3-5,11,16-17H2,1-2H3;4-6,8-9,11-15,17,20,23H,3,7,10,16,18-19H2,1-2H3;5-6,8-10,13,17,25H,2-4,7,11-12H2,1H3,(H,24,26,27);6-10,12,14,16,21H,3-5,11,13H2,1-2H3;6-8,10-11,17H,5,9,12-15H2,1-4H3;4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);3-5,7-8,14,16H,2,6,9-12H2,1H3
• InChIKey: GJHKJGHJPUEKFP-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 523.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2941.34
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158273203) is benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1.CCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)OCc2ccccc2)C1.CCN(c1ncnc2[nH]ccc12)C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCN(C(=O)OCc2ccccc2)C1.CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCNC1.CCNC1CCCN(C(=O)OCc2ccccc2)C1.

What is the InChIKey of benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is GJHKJGHJPUEKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N6O3S.C28H31N5O4S.C21H24Cl2N6O.C20H25N5O2S.C20H30N2O4.C18H26N2O4.C15H22N2O2/c1-3-35(23-5-4-11-34(17-23)26(37)16-31-22-14-20(29)13-21(30)15-22)27-25-10-12-36(28(25)33-18-32-27)40(38,39)24-8-6-19(2)7-9-24;1-3-32(23-10-7-16-31(18-23)28(34)37-19-22-8-5-4-6-9-22)26-25-15-17-33(27(25)30-20-29-26)38(35,36)24-13-11-21(2)12-14-24;1-2-29(21-18-5-6-24-20(18)26-13-27-21)17-4-3-7-28(12-17)19(30)11-25-16-9-14(22)8-15(23)10-16;1-3-24(16-5-4-11-21-13-16)19-18-10-12-25(20(18)23-14-22-19)28(26,27)17-8-6-15(2)7-9-17;1-5-22(19(24)26-20(2,3)4)17-12-9-13-21(14-17)18(23)25-15-16-10-7-6-8-11-16;1-18(2,3)24-16(21)19-15-10-7-11-20(12-15)17(22)23-13-14-8-5-4-6-9-14;1-2-16-14-9-6-10-17(11-14)15(18)19-12-13-7-4-3-5-8-13/h6-10,12-15,18,23,31H,3-5,11,16-17H2,1-2H3;4-6,8-9,11-15,17,20,23H,3,7,10,16,18-19H2,1-2H3;5-6,8-10,13,17,25H,2-4,7,11-12H2,1H3,(H,24,26,27);6-10,12,14,16,21H,3-5,11,13H2,1-2H3;6-8,10-11,17H,5,9,12-15H2,1-4H3;4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);3-5,7-8,14,16H,2,6,9-12H2,1H3.

What are the key properties of benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?

benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2941.34 g/mol, XLogP of 26.32, 37 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-(ethylamino)piperidine-1-carboxylate;benzyl 3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;benzyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[ethyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;N-ethyl-7-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158273203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).