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

C157H176Cl4N26O14S4 — CID 158187796

About benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158187796) has the molecular formula C157H176Cl4N26O14S4 and a molecular weight of 2921.38 g/mol. Its IUPAC name is benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158187796
• Molecular Formula: C157H176Cl4N26O14S4
• Molecular Weight: 2921.38 g/mol
• Exact Mass: 2917.15
• IUPAC Name: benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CCS.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCNC4)ncnc32)cc1.NC1CCCN(C(=O)OCc2ccccc2)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(N(CCc2ccccc2)c2ncnc3[nH]ccc23)C1.O=C(OCc1ccccc1)N1CCCC(NCCc2ccccc2)C1
• InChI: InChI=1S/C34H34Cl2N6O3S.C34H35N5O4S.C27H28Cl2N6O.C26H29N5O2S.C21H26N2O2.C13H18N2O2.C2H6S/c1-24-9-11-30(12-10-24)46(44,45)42-17-14-31-33(38-23-39-34(31)42)41(16-13-25-6-3-2-4-7-25)29-8-5-15-40(22-29)32(43)21-37-28-19-26(35)18-27(36)20-28;1-26-14-16-30(17-15-26)44(41,42)39-22-19-31-32(35-25-36-33(31)39)38(21-18-27-9-4-2-5-10-27)29-13-8-20-37(23-29)34(40)43-24-28-11-6-3-7-12-28;28-20-13-21(29)15-22(14-20)31-16-25(36)34-11-4-7-23(17-34)35(12-9-19-5-2-1-3-6-19)27-24-8-10-30-26(24)32-18-33-27;1-20-9-11-23(12-10-20)34(32,33)31-17-14-24-25(28-19-29-26(24)31)30(22-8-5-15-27-18-22)16-13-21-6-3-2-4-7-21;24-21(25-17-19-10-5-2-6-11-19)23-15-7-12-20(16-23)22-14-13-18-8-3-1-4-9-18;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;1-2-3/h2-4,6-7,9-12,14,17-20,23,29,37H,5,8,13,15-16,21-22H2,1H3;2-7,9-12,14-17,19,22,25,29H,8,13,18,20-21,23-24H2,1H3;1-3,5-6,8,10,13-15,18,23,31H,4,7,9,11-12,16-17H2,(H,30,32,33);2-4,6-7,9-12,14,17,19,22,27H,5,8,13,15-16,18H2,1H3;1-6,8-11,20,22H,7,12-17H2;1-3,5-6,12H,4,7-10,14H2;3H,2H2,1H3
• InChIKey: FZIYIHHEMLGXFY-UHFFFAOYSA-N
• XLogP: 27.76
• TPSA: 452.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2921.38
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158187796) is benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is CCS.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCN(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCN(C(=O)OCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(CCc4ccccc4)C4CCCNC4)ncnc32)cc1.NC1CCCN(C(=O)OCc2ccccc2)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(N(CCc2ccccc2)c2ncnc3[nH]ccc23)C1.O=C(OCc1ccccc1)N1CCCC(NCCc2ccccc2)C1.

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

The InChIKey is FZIYIHHEMLGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl2N6O3S.C34H35N5O4S.C27H28Cl2N6O.C26H29N5O2S.C21H26N2O2.C13H18N2O2.C2H6S/c1-24-9-11-30(12-10-24)46(44,45)42-17-14-31-33(38-23-39-34(31)42)41(16-13-25-6-3-2-4-7-25)29-8-5-15-40(22-29)32(43)21-37-28-19-26(35)18-27(36)20-28;1-26-14-16-30(17-15-26)44(41,42)39-22-19-31-32(35-25-36-33(31)39)38(21-18-27-9-4-2-5-10-27)29-13-8-20-37(23-29)34(40)43-24-28-11-6-3-7-12-28;28-20-13-21(29)15-22(14-20)31-16-25(36)34-11-4-7-23(17-34)35(12-9-19-5-2-1-3-6-19)27-24-8-10-30-26(24)32-18-33-27;1-20-9-11-23(12-10-20)34(32,33)31-17-14-24-25(28-19-29-26(24)31)30(22-8-5-15-27-18-22)16-13-21-6-3-2-4-7-21;24-21(25-17-19-10-5-2-6-11-19)23-15-7-12-20(16-23)22-14-13-18-8-3-1-4-9-18;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;1-2-3/h2-4,6-7,9-12,14,17-20,23,29,37H,5,8,13,15-16,21-22H2,1H3;2-7,9-12,14-17,19,22,25,29H,8,13,18,20-21,23-24H2,1H3;1-3,5-6,8,10,13-15,18,23,31H,4,7,9,11-12,16-17H2,(H,30,32,33);2-4,6-7,9-12,14,17,19,22,27H,5,8,13,15-16,18H2,1H3;1-6,8-11,20,22H,7,12-17H2;1-3,5-6,12H,4,7-10,14H2;3H,2H2,1H3.

What are the key properties of benzyl 3-aminopiperidine-1-carboxylate;benzyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2921.38 g/mol, XLogP of 27.76, 42 rotatable bonds, 7 hydrogen bond donors, and 35 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-phenylethyl)amino]piperidine-1-carboxylate;benzyl 3-(2-phenylethylamino)piperidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-(2-phenylethyl)amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[3-[2-phenylethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;ethanethiol;7-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)-N-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158187796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).