benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride

C152H211BrCl3N29O19Si4 — CID 167691515

About benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride (PubChem CID 167691515) has the molecular formula C152H211BrCl3N29O19Si4 and a molecular weight of 3047.15 g/mol. Its IUPAC name is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride
• PubChem CID: 167691515
• Molecular Formula: C152H211BrCl3N29O19Si4
• Molecular Weight: 3047.15 g/mol
• Exact Mass: 3042.38
• IUPAC Name: benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(C(=O)C4CCC4)c23)CC[C@@H]1C.CON(C)C(=O)C1CCC1.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C(=O)C4CCC4)c23)CN1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(=O)C2CCC2)c2c(Cl)ncnc21
• InChI: InChI=1S/2C31H43N5O4Si.C20H25N5O2.C17H24ClN3O2Si.C17H23N5O.C14H20N2O2.C12H17BrClN3OSi.C7H13NO2.C3H3ClO/c2*1-22-13-14-25(17-36(22)31(38)40-19-23-9-6-5-7-10-23)34-29-27-26(28(37)24-11-8-12-24)18-35(30(27)33-20-32-29)21-39-15-16-41(2,3)4;1-3-16(26)25-10-14(8-7-12(25)2)24-20-17-15(18(27)13-5-4-6-13)9-21-19(17)22-11-23-20;1-24(2,3)8-7-23-11-21-9-13(15(22)12-5-4-6-12)14-16(18)19-10-20-17(14)21;1-10-5-6-12(7-18-10)22-17-14-13(15(23)11-3-2-4-11)8-19-16(14)20-9-21-17;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-8(10-2)7(9)6-4-3-5-6;1-2-3(4)5/h2*5-7,9-10,18,20,22,24-25H,8,11-17,19,21H2,1-4H3,(H,32,33,34);3,9,11-14H,1,4-8,10H2,2H3,(H2,21,22,23,24);9-10,12H,4-8,11H2,1-3H3;8-12,18H,2-7H2,1H3,(H2,19,20,21,22);2-6,11,13H,7-10,15H2,1H3;6-7H,4-5,8H2,1-3H3;6H,3-5H2,1-2H3;2H,1H2/t2*22-,25+;12-,14+;;10-,12+;11-,13+;;;/m000.00.../s1
• InChIKey: XAEBALJKSRYYIJ-UIZPYZBNSA-N
• XLogP: 30.49
• TPSA: 569.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 48
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3047.15
LogP ≤ 5	30.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride?

The IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride (CID 167691515) is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride.

What is the SMILES notation for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride?

The canonical SMILES for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(C(=O)C4CCC4)c23)CC[C@@H]1C.CON(C)C(=O)C1CCC1.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C(=O)C4CCC4)c23)CN1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C(=O)C2CCC2)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C(=O)C2CCC2)c2c(Cl)ncnc21.

What is the InChIKey of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride?

The InChIKey is XAEBALJKSRYYIJ-UIZPYZBNSA-N. The full InChI is InChI=1S/2C31H43N5O4Si.C20H25N5O2.C17H24ClN3O2Si.C17H23N5O.C14H20N2O2.C12H17BrClN3OSi.C7H13NO2.C3H3ClO/c2*1-22-13-14-25(17-36(22)31(38)40-19-23-9-6-5-7-10-23)34-29-27-26(28(37)24-11-8-12-24)18-35(30(27)33-20-32-29)21-39-15-16-41(2,3)4;1-3-16(26)25-10-14(8-7-12(25)2)24-20-17-15(18(27)13-5-4-6-13)9-21-19(17)22-11-23-20;1-24(2,3)8-7-23-11-21-9-13(15(22)12-5-4-6-12)14-16(18)19-10-20-17(14)21;1-10-5-6-12(7-18-10)22-17-14-13(15(23)11-3-2-4-11)8-19-16(14)20-9-21-17;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-8(10-2)7(9)6-4-3-5-6;1-2-3(4)5/h2*5-7,9-10,18,20,22,24-25H,8,11-17,19,21H2,1-4H3,(H,32,33,34);3,9,11-14H,1,4-8,10H2,2H3,(H2,21,22,23,24);9-10,12H,4-8,11H2,1-3H3;8-12,18H,2-7H2,1H3,(H2,19,20,21,22);2-6,11,13H,7-10,15H2,1H3;6-7H,4-5,8H2,1-3H3;6H,3-5H2,1-2H3;2H,1H2/t2*22-,25+;12-,14+;;10-,12+;11-,13+;;;/m000.00.../s1.

What are the key properties of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride?

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride has a molecular weight of 3047.15 g/mol, XLogP of 30.49, 48 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;bis(benzyl (2S,5R)-5-[[5-(cyclobutanecarbonyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate);2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclobutylmethanone;1-[(2S,5R)-5-[[5-(cyclobutanecarbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;cyclobutyl-[4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;N-methoxy-N-methylcyclobutanecarboxamide;prop-2-enoyl chloride is sourced from PubChem (CID 167691515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).