N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide

C154H157Cl12N39O6 — CID 161483633

About N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide

N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide (PubChem CID 161483633) has the molecular formula C154H157Cl12N39O6 and a molecular weight of 3075.65 g/mol. Its IUPAC name is N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide
• PubChem CID: 161483633
• Molecular Formula: C154H157Cl12N39O6
• Molecular Weight: 3075.65 g/mol
• Exact Mass: 3067.94
• IUPAC Name: N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CC(C)NC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCCCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1
• InChI: InChI=1S/C27H29Cl2N7O.C27H28Cl2N6O2.2C26H27Cl2N7O.C25H25Cl2N7O.C23H21Cl2N5/c1-2-3-14-30-27(37)35-15-12-19(13-16-35)33-24-23-26(32-17-31-24)36(20-10-8-18(28)9-11-20)25(34-23)21-6-4-5-7-22(21)29;1-27(2,3)37-26(36)34-14-12-18(13-15-34)32-23-22-25(31-16-30-23)35(19-10-8-17(28)9-11-19)24(33-22)20-6-4-5-7-21(20)29;1-16(2)31-26(36)34-13-11-18(12-14-34)32-23-22-25(30-15-29-23)35(19-9-7-17(27)8-10-19)24(33-22)20-5-3-4-6-21(20)28;1-2-13-29-26(36)34-14-11-18(12-15-34)32-23-22-25(31-16-30-23)35(19-9-7-17(27)8-10-19)24(33-22)20-5-3-4-6-21(20)28;1-2-28-25(35)33-13-11-17(12-14-33)31-22-21-24(30-15-29-22)34(18-9-7-16(26)8-10-18)23(32-21)19-5-3-4-6-20(19)27;24-15-10-12-17(13-11-15)30-22(18-8-4-5-9-19(18)25)29-20-21(26-14-27-23(20)30)28-16-6-2-1-3-7-16/h4-11,17,19H,2-3,12-16H2,1H3,(H,30,37)(H,31,32,33);4-11,16,18H,12-15H2,1-3H3,(H,30,31,32);3-10,15-16,18H,11-14H2,1-2H3,(H,31,36)(H,29,30,32);3-10,16,18H,2,11-15H2,1H3,(H,29,36)(H,30,31,32);3-10,15,17H,2,11-14H2,1H3,(H,28,35)(H,29,30,31);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28)
• InChIKey: WERPUCZMZJYVBC-UHFFFAOYSA-N
• XLogP: 36.27
• TPSA: 492.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3075.65
LogP ≤ 5	36.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide?

The IUPAC name of N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide (CID 161483633) is N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide.

What is the SMILES notation for N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide?

The canonical SMILES for N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide is CC(C)(C)OC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CC(C)NC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCCCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.CCNC(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(NC4CCCCC4)ncnc32)cc1.

What is the InChIKey of N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide?

The InChIKey is WERPUCZMZJYVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N7O.C27H28Cl2N6O2.2C26H27Cl2N7O.C25H25Cl2N7O.C23H21Cl2N5/c1-2-3-14-30-27(37)35-15-12-19(13-16-35)33-24-23-26(32-17-31-24)36(20-10-8-18(28)9-11-20)25(34-23)21-6-4-5-7-22(21)29;1-27(2,3)37-26(36)34-14-12-18(13-15-34)32-23-22-25(31-16-30-23)35(19-10-8-17(28)9-11-19)24(33-22)20-6-4-5-7-21(20)29;1-16(2)31-26(36)34-13-11-18(12-14-34)32-23-22-25(30-15-29-23)35(19-9-7-17(27)8-10-19)24(33-22)20-5-3-4-6-21(20)28;1-2-13-29-26(36)34-14-11-18(12-15-34)32-23-22-25(31-16-30-23)35(19-9-7-17(27)8-10-19)24(33-22)20-5-3-4-6-21(20)28;1-2-28-25(35)33-13-11-17(12-14-33)31-22-21-24(30-15-29-22)34(18-9-7-16(26)8-10-18)23(32-21)19-5-3-4-6-20(19)27;24-15-10-12-17(13-11-15)30-22(18-8-4-5-9-19(18)25)29-20-21(26-14-27-23(20)30)28-16-6-2-1-3-7-16/h4-11,17,19H,2-3,12-16H2,1H3,(H,30,37)(H,31,32,33);4-11,16,18H,12-15H2,1-3H3,(H,30,31,32);3-10,15-16,18H,11-14H2,1-2H3,(H,31,36)(H,29,30,32);3-10,16,18H,2,11-15H2,1H3,(H,29,36)(H,30,31,32);3-10,15,17H,2,11-14H2,1H3,(H,28,35)(H,29,30,31);4-5,8-14,16H,1-3,6-7H2,(H,26,27,28).

What are the key properties of N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide?

N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide has a molecular weight of 3075.65 g/mol, XLogP of 36.27, 31 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxamide;tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate;8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-cyclohexylpurin-6-amine;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propan-2-ylpiperidine-1-carboxamide;4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 161483633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).