2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride

C159H210Cl2N26O25S4 — CID 159740583

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride (PubChem CID 159740583) has the molecular formula C159H210Cl2N26O25S4 and a molecular weight of 3084.76 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride.

Molecular Properties

• Compound Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride
• PubChem CID: 159740583
• Molecular Formula: C159H210Cl2N26O25S4
• Molecular Weight: 3084.76 g/mol
• Exact Mass: 3081.42
• IUPAC Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride
• SMILES: CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCOC(=O)c1cnc(Cl)nc1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCCCC3)CC2)nc1.O=C(Cl)N1CCCCC1
• InChI: InChI=1S/C32H40N4O5S.C28H33N5O2S.C27H32N4O3S.C18H27N3O4.C16H23N3O4.C15H18N2O2S.C10H20N2O2.C7H7ClN2O2.C6H10ClNO/c1-31(2,3)40-29(38)35-25-10-9-22(27-8-7-15-42-27)17-23(25)18-26(37)24-19-33-28(34-20-24)16-21-11-13-36(14-12-21)30(39)41-32(4,5)6;29-24-7-6-21(26-5-4-14-36-26)16-22(24)17-25(34)23-18-30-27(31-19-23)15-20-8-12-33(13-9-20)28(35)32-10-2-1-3-11-32;1-27(2,3)34-26(33)31-10-8-18(9-11-31)13-25-29-16-21(17-30-25)23(32)15-20-14-19(6-7-22(20)28)24-5-4-12-35-24;1-5-24-16(22)14-11-19-15(20-12-14)10-13-6-8-21(9-7-13)17(23)25-18(2,3)4;1-16(2,3)23-15(22)19-6-4-11(5-7-19)8-13-17-9-12(10-18-13)14(20)21;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-12-6(11)5-3-9-7(8)10-4-5;7-6(9)8-4-2-1-3-5-8/h7-10,15,17,19-21H,11-14,16,18H2,1-6H3,(H,35,38);4-7,14,16,18-20H,1-3,8-13,15,17,29H2;4-7,12,14,16-18H,8-11,13,15,28H2,1-3H3;11-13H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3,(H,20,21);4-9H,16H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;3-4H,2H2,1H3;1-5H2
• InChIKey: NCKFHWQPSXNTCB-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 668.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3084.76
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride?

The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride (CID 159740583) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride.

What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride?

The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride is CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCOC(=O)c1cnc(Cl)nc1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCCCC3)CC2)nc1.O=C(Cl)N1CCCCC1.

What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride?

The InChIKey is NCKFHWQPSXNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5S.C28H33N5O2S.C27H32N4O3S.C18H27N3O4.C16H23N3O4.C15H18N2O2S.C10H20N2O2.C7H7ClN2O2.C6H10ClNO/c1-31(2,3)40-29(38)35-25-10-9-22(27-8-7-15-42-27)17-23(25)18-26(37)24-19-33-28(34-20-24)16-21-11-13-36(14-12-21)30(39)41-32(4,5)6;29-24-7-6-21(26-5-4-14-36-26)16-22(24)17-25(34)23-18-30-27(31-19-23)15-20-8-12-33(13-9-20)28(35)32-10-2-1-3-11-32;1-27(2,3)34-26(33)31-10-8-18(9-11-31)13-25-29-16-21(17-30-25)23(32)15-20-14-19(6-7-22(20)28)24-5-4-12-35-24;1-5-24-16(22)14-11-19-15(20-12-14)10-13-6-8-21(9-7-13)17(23)25-18(2,3)4;1-16(2,3)23-15(22)19-6-4-11(5-7-19)8-13-17-9-12(10-18-13)14(20)21;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2-12-6(11)5-3-9-7(8)10-4-5;7-6(9)8-4-2-1-3-5-8/h7-10,15,17,19-21H,11-14,16,18H2,1-6H3,(H,35,38);4-7,14,16,18-20H,1-3,8-13,15,17,29H2;4-7,12,14,16-18H,8-11,13,15,28H2,1-3H3;11-13H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3,(H,20,21);4-9H,16H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;3-4H,2H2,1H3;1-5H2.

What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride?

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride has a molecular weight of 3084.76 g/mol, XLogP of 31.68, 30 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride is sourced from PubChem (CID 159740583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).