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

C164H212Cl4N32O23S3 — CID 157133703

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

benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 157133703) has the molecular formula C164H212Cl4N32O23S3 and a molecular weight of 3237.71 g/mol. Its IUPAC name is benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 157133703
• Molecular Formula: C164H212Cl4N32O23S3
• Molecular Weight: 3237.71 g/mol
• Exact Mass: 3233.43
• IUPAC Name: benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCNC4)ncnc32)cc1.NC1CCCN(C(=O)OCc2ccccc2)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(N(CCN2CCOCC2)c2ncnc3[nH]ccc23)C1.O=C(OCc1ccccc1)N1CCCC(CCCN2CCOCC2)C1
• InChI: InChI=1S/C32H37Cl2N7O4S.C32H38N6O5S.C25H31Cl2N7O2.C24H32N6O3S.C20H30N2O3.C18H26N2O4.C13H18N2O2/c1-23-4-6-28(7-5-23)46(43,44)41-10-8-29-31(36-22-37-32(29)41)40(12-11-38-13-15-45-16-14-38)27-3-2-9-39(21-27)30(42)20-35-26-18-24(33)17-25(34)19-26;1-25-9-11-28(12-10-25)44(40,41)38-15-13-29-30(33-24-34-31(29)38)37(17-16-35-18-20-42-21-19-35)27-8-5-14-36(22-27)32(39)43-23-26-6-3-2-4-7-26;26-18-12-19(27)14-20(13-18)29-15-23(35)33-5-1-2-21(16-33)34(7-6-32-8-10-36-11-9-32)25-22-3-4-28-24(22)30-17-31-25;1-19-4-6-21(7-5-19)34(31,32)30-10-8-22-23(26-18-27-24(22)30)29(20-3-2-9-25-17-20)12-11-28-13-15-33-16-14-28;23-20(25-17-19-6-2-1-3-7-19)22-11-5-9-18(16-22)8-4-10-21-12-14-24-15-13-21;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;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h4-8,10,17-19,22,27,35H,2-3,9,11-16,20-21H2,1H3;2-4,6-7,9-13,15,24,27H,5,8,14,16-23H2,1H3;3-4,12-14,17,21,29H,1-2,5-11,15-16H2,(H,28,30,31);4-8,10,18,20,25H,2-3,9,11-17H2,1H3;1-3,6-7,18H,4-5,8-17H2;4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12H,4,7-10,14H2
• InChIKey: AJJGOFXVHFPJTC-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 570.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 45
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3237.71
LogP ≤ 5	22.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 157133703) is benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCN4CCOCC4)C4CCCNC4)ncnc32)cc1.NC1CCCN(C(=O)OCc2ccccc2)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(N(CCN2CCOCC2)c2ncnc3[nH]ccc23)C1.O=C(OCc1ccccc1)N1CCCC(CCCN2CCOCC2)C1.

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

The InChIKey is AJJGOFXVHFPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Cl2N7O4S.C32H38N6O5S.C25H31Cl2N7O2.C24H32N6O3S.C20H30N2O3.C18H26N2O4.C13H18N2O2/c1-23-4-6-28(7-5-23)46(43,44)41-10-8-29-31(36-22-37-32(29)41)40(12-11-38-13-15-45-16-14-38)27-3-2-9-39(21-27)30(42)20-35-26-18-24(33)17-25(34)19-26;1-25-9-11-28(12-10-25)44(40,41)38-15-13-29-30(33-24-34-31(29)38)37(17-16-35-18-20-42-21-19-35)27-8-5-14-36(22-27)32(39)43-23-26-6-3-2-4-7-26;26-18-12-19(27)14-20(13-18)29-15-23(35)33-5-1-2-21(16-33)34(7-6-32-8-10-36-11-9-32)25-22-3-4-28-24(22)30-17-31-25;1-19-4-6-21(7-5-19)34(31,32)30-10-8-22-23(26-18-27-24(22)30)29(20-3-2-9-25-17-20)12-11-28-13-15-33-16-14-28;23-20(25-17-19-6-2-1-3-7-19)22-11-5-9-18(16-22)8-4-10-21-12-14-24-15-13-21;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;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h4-8,10,17-19,22,27,35H,2-3,9,11-16,20-21H2,1H3;2-4,6-7,9-13,15,24,27H,5,8,14,16-23H2,1H3;3-4,12-14,17,21,29H,1-2,5-11,15-16H2,(H,28,30,31);4-8,10,18,20,25H,2-3,9,11-17H2,1H3;1-3,6-7,18H,4-5,8-17H2;4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12H,4,7-10,14H2.

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

benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 3237.71 g/mol, XLogP of 22.02, 45 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidine-1-carboxylate;benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl 3-(3-morpholin-4-ylpropyl)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-morpholin-4-ylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157133703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).