2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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

C130H173N21O21S3 — CID 158491670

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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 (PubChem CID 158491670) has the molecular formula C130H173N21O21S3 and a molecular weight of 2462.14 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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.

Molecular Properties

• Compound Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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
• PubChem CID: 158491670
• Molecular Formula: C130H173N21O21S3
• Molecular Weight: 2462.14 g/mol
• Exact Mass: 2460.23
• IUPAC Name: 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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
• 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.CCOC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCOCC3)CC2)nc1
• InChI: InChI=1S/C32H40N4O5S.C27H31N5O3S.C27H32N4O3S.C18H27N3O4.C16H23N3O4.C10H20N2O2/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;28-23-4-3-20(25-2-1-13-36-25)15-21(23)16-24(33)22-17-29-26(30-18-22)14-19-5-7-31(8-6-19)27(34)32-9-11-35-12-10-32;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;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h7-10,15,17,19-21H,11-14,16,18H2,1-6H3,(H,35,38);1-4,13,15,17-19H,5-12,14,16,28H2;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);8H,4-7,11H2,1-3H3
• InChIKey: HITSBYURVKAGJM-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 540.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2462.14
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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?

The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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 (CID 158491670) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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.

What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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?

The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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 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.CCOC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)nc1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc(CC2CCN(C(=O)N3CCOCC3)CC2)nc1.

What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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?

The InChIKey is HITSBYURVKAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5S.C27H31N5O3S.C27H32N4O3S.C18H27N3O4.C16H23N3O4.C10H20N2O2/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;28-23-4-3-20(25-2-1-13-36-25)15-21(23)16-24(33)22-17-29-26(30-18-22)14-19-5-7-31(8-6-19)27(34)32-9-11-35-12-10-32;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;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h7-10,15,17,19-21H,11-14,16,18H2,1-6H3,(H,35,38);1-4,13,15,17-19H,5-12,14,16,28H2;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);8H,4-7,11H2,1-3H3.

What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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?

2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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 has a molecular weight of 2462.14 g/mol, XLogP of 23.04, 26 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(morpholine-4-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 4-[[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-2-yl]methyl]piperidine-1-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 is sourced from PubChem (CID 158491670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).