1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)

C120H171Br2Cl4N37O11S2 — CID 176546576

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide) (PubChem CID 176546576) has the molecular formula C120H171Br2Cl4N37O11S2 and a molecular weight of 2673.69 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide).

Molecular Properties

• Compound Name: 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)
• PubChem CID: 176546576
• Molecular Formula: C120H171Br2Cl4N37O11S2
• Molecular Weight: 2673.69 g/mol
• Exact Mass: 2668.05
• IUPAC Name: 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)
• SMILES: CC(C)NC(=O)CN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CCCN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CS(=O)(=O)CCCCN(CCc1ccc(Br)cc1)C1CCN(c2n[nH]c(N)n2)CC1.Cc1ccc(S(=O)(=O)CCCCN(CCc2ccc(Br)cc2)C2CCN(c3n[nH]c(N)n3)CC2)cc1.Nc1nc(N2CCC(N(CCC(=O)O)CCc3ccc(Cl)cc3)CC2)n[nH]1.O=C=O.O=C=O
• InChI: InChI=1S/C26H35BrN6O2S.C20H31BrN6O2S.C20H30ClN7O.C18H25ClN6O2.C18H27ClN6.C16H23ClN6.2CO2/c1-20-4-10-24(11-5-20)36(34,35)19-3-2-15-32(16-12-21-6-8-22(27)9-7-21)23-13-17-33(18-14-23)26-29-25(28)30-31-26;1-30(28,29)15-3-2-11-26(12-8-16-4-6-17(21)7-5-16)18-9-13-27(14-10-18)20-23-19(22)24-25-20;1-14(2)23-18(29)13-28(10-7-15-3-5-16(21)6-4-15)17-8-11-27(12-9-17)20-24-19(22)25-26-20;19-14-3-1-13(2-4-14)5-9-24(12-8-16(26)27)15-6-10-25(11-7-15)18-21-17(20)22-23-18;1-2-10-24(11-7-14-3-5-15(19)6-4-14)16-8-12-25(13-9-16)18-21-17(20)22-23-18;1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16;2*2-1-3/h4-11,23H,2-3,12-19H2,1H3,(H3,28,29,30,31);4-7,18H,2-3,8-15H2,1H3,(H3,22,23,24,25);3-6,14,17H,7-13H2,1-2H3,(H,23,29)(H3,22,24,25,26);1-4,15H,5-12H2,(H,26,27)(H3,20,21,22,23);3-6,16H,2,7-13H2,1H3,(H3,20,21,22,23);2-5,14H,6-11H2,1H3,(H3,18,19,20,21)
• InChIKey: QBSSBTUKVMGTRW-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 647.38 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 49
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2673.69
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)?

The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide) (CID 176546576) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide).

What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)?

The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide) is CC(C)NC(=O)CN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CCCN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CN(CCc1ccc(Cl)cc1)C1CCN(c2n[nH]c(N)n2)CC1.CS(=O)(=O)CCCCN(CCc1ccc(Br)cc1)C1CCN(c2n[nH]c(N)n2)CC1.Cc1ccc(S(=O)(=O)CCCCN(CCc2ccc(Br)cc2)C2CCN(c3n[nH]c(N)n3)CC2)cc1.Nc1nc(N2CCC(N(CCC(=O)O)CCc3ccc(Cl)cc3)CC2)n[nH]1.O=C=O.O=C=O.

What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)?

The InChIKey is QBSSBTUKVMGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrN6O2S.C20H31BrN6O2S.C20H30ClN7O.C18H25ClN6O2.C18H27ClN6.C16H23ClN6.2CO2/c1-20-4-10-24(11-5-20)36(34,35)19-3-2-15-32(16-12-21-6-8-22(27)9-7-21)23-13-17-33(18-14-23)26-29-25(28)30-31-26;1-30(28,29)15-3-2-11-26(12-8-16-4-6-17(21)7-5-16)18-9-13-27(14-10-18)20-23-19(22)24-25-20;1-14(2)23-18(29)13-28(10-7-15-3-5-16(21)6-4-15)17-8-11-27(12-9-17)20-24-19(22)25-26-20;19-14-3-1-13(2-4-14)5-9-24(12-8-16(26)27)15-6-10-25(11-7-15)18-21-17(20)22-23-18;1-2-10-24(11-7-14-3-5-15(19)6-4-14)16-8-12-25(13-9-16)18-21-17(20)22-23-18;1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16;2*2-1-3/h4-11,23H,2-3,12-19H2,1H3,(H3,28,29,30,31);4-7,18H,2-3,8-15H2,1H3,(H3,22,23,24,25);3-6,14,17H,7-13H2,1-2H3,(H,23,29)(H3,22,24,25,26);1-4,15H,5-12H2,(H,26,27)(H3,20,21,22,23);3-6,16H,2,7-13H2,1H3,(H3,20,21,22,23);2-5,14H,6-11H2,1H3,(H3,18,19,20,21);;.

What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide)?

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide) has a molecular weight of 2673.69 g/mol, XLogP of 14.80, 49 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-[4-(4-methylphenyl)sulfonylbutyl]piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-(4-methylsulfonylbutyl)piperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propylpiperidin-4-amine;3-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propanoic acid;2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]-N-propan-2-ylacetamide;bis(carbon dioxide) is sourced from PubChem (CID 176546576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).