tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine

C121H166Cl4N26O14S3 — CID 158848221

About tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine

tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158848221) has the molecular formula C121H166Cl4N26O14S3 and a molecular weight of 2446.84 g/mol. Its IUPAC name is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158848221
• Molecular Formula: C121H166Cl4N26O14S3
• Molecular Weight: 2446.84 g/mol
• Exact Mass: 2443.10
• IUPAC Name: tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CCCN(c1ncnc2[nH]ccc12)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCNC1.CCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C29H32Cl2N6O3S.C26H35N5O4S.C22H26Cl2N6O.C21H27N5O2S.C13H26N2O2.C10H20N2O2/c1-3-11-36(24-5-4-12-35(18-24)27(38)17-32-23-15-21(30)14-22(31)16-23)28-26-10-13-37(29(26)34-19-33-28)41(39,40)25-8-6-20(2)7-9-25;1-6-14-30(20-8-7-15-29(17-20)25(32)35-26(3,4)5)23-22-13-16-31(24(22)28-18-27-23)36(33,34)21-11-9-19(2)10-12-21;1-2-7-30(22-19-5-6-25-21(19)27-14-28-22)18-4-3-8-29(13-18)20(31)12-26-17-10-15(23)9-16(24)11-17;1-3-12-25(17-5-4-11-22-14-17)20-19-10-13-26(21(19)24-15-23-20)29(27,28)18-8-6-16(2)7-9-18;1-5-8-14-11-7-6-9-15(10-11)12(16)17-13(2,3)4;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-10,13-16,19,24,32H,3-5,11-12,17-18H2,1-2H3;9-13,16,18,20H,6-8,14-15,17H2,1-5H3;5-6,9-11,14,18,26H,2-4,7-8,12-13H2,1H3,(H,25,27,28);6-10,13,15,17,22H,3-5,11-12,14H2,1-2H3;11,14H,5-10H2,1-4H3;8H,4-7,11H2,1-3H3/t24-;20-;18-;17-;11-;8-/m000000/s1
• InChIKey: IZCNGYZMXYLWMT-DDLPSBBXSA-N
• XLogP: 21.46
• TPSA: 452.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.84
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158848221) is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CCCN(c1ncnc2[nH]ccc12)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1.CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCNC1.CCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is IZCNGYZMXYLWMT-DDLPSBBXSA-N. The full InChI is InChI=1S/C29H32Cl2N6O3S.C26H35N5O4S.C22H26Cl2N6O.C21H27N5O2S.C13H26N2O2.C10H20N2O2/c1-3-11-36(24-5-4-12-35(18-24)27(38)17-32-23-15-21(30)14-22(31)16-23)28-26-10-13-37(29(26)34-19-33-28)41(39,40)25-8-6-20(2)7-9-25;1-6-14-30(20-8-7-15-29(17-20)25(32)35-26(3,4)5)23-22-13-16-31(24(22)28-18-27-23)36(33,34)21-11-9-19(2)10-12-21;1-2-7-30(22-19-5-6-25-21(19)27-14-28-22)18-4-3-8-29(13-18)20(31)12-26-17-10-15(23)9-16(24)11-17;1-3-12-25(17-5-4-11-22-14-17)20-19-10-13-26(21(19)24-15-23-20)29(27,28)18-8-6-16(2)7-9-18;1-5-8-14-11-7-6-9-15(10-11)12(16)17-13(2,3)4;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-10,13-16,19,24,32H,3-5,11-12,17-18H2,1-2H3;9-13,16,18,20H,6-8,14-15,17H2,1-5H3;5-6,9-11,14,18,26H,2-4,7-8,12-13H2,1H3,(H,25,27,28);6-10,13,15,17,22H,3-5,11-12,14H2,1-2H3;11,14H,5-10H2,1-4H3;8H,4-7,11H2,1-3H3/t24-;20-;18-;17-;11-;8-/m000000/s1.

What are the key properties of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine?

tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2446.84 g/mol, XLogP of 21.46, 31 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidine-1-carboxylate;tert-butyl (3S)-3-(propylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-propylamino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[(3S)-3-[propyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;7-(4-methylphenyl)sulfonyl-N-[(3S)-piperidin-3-yl]-N-propylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158848221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).