2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C118H154Cl2N30O12 — CID 157223163

About 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 157223163) has the molecular formula C118H154Cl2N30O12 and a molecular weight of 2255.63 g/mol. Its IUPAC name is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 157223163
• Molecular Formula: C118H154Cl2N30O12
• Molecular Weight: 2255.63 g/mol
• Exact Mass: 2253.17
• IUPAC Name: 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• SMILES: CCCn1cc(CCN(CC)CC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccc(OC)cc21.CCCn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cc(Cl)ccc21.COc1ccc2c(CCNCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cn(C)c2c1.Cc1c(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc2n1C.Cn1cc(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cc(Cl)ccc21
• InChI: InChI=1S/C27H38N6O3.C23H29ClN6O2.C23H30N6O3.C23H30N6O2.C22H27ClN6O2/c1-4-11-33-19-21(24-7-6-23(36-3)15-25(24)33)10-12-31(5-2)18-20-8-13-32(14-9-20)27-28-16-22(17-29-27)26(34)30-35;1-2-7-30-15-18(20-10-19(24)3-4-21(20)30)12-25-11-16-5-8-29(9-6-16)23-26-13-17(14-27-23)22(31)28-32;1-28-15-17(20-4-3-19(32-2)11-21(20)28)5-8-24-12-16-6-9-29(10-7-16)23-25-13-18(14-26-23)22(30)27-31;1-16-19(20-5-3-4-6-21(20)28(16)2)7-10-24-13-17-8-11-29(12-9-17)23-25-14-18(15-26-23)22(30)27-31;1-28-14-16(19-10-18(23)2-3-20(19)28)4-7-24-11-15-5-8-29(9-6-15)22-25-12-17(13-26-22)21(30)27-31/h6-7,15-17,19-20,35H,4-5,8-14,18H2,1-3H3,(H,30,34);3-4,10,13-16,25,32H,2,5-9,11-12H2,1H3,(H,28,31);3-4,11,13-16,24,31H,5-10,12H2,1-2H3,(H,27,30);3-6,14-15,17,24,31H,7-13H2,1-2H3,(H,27,30);2-3,10,12-15,24,31H,4-9,11H2,1H3,(H,27,30)
• InChIKey: ATFSIVYMZRTBNX-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 486.22 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.63
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 157223163) is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CCCn1cc(CCN(CC)CC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccc(OC)cc21.CCCn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cc(Cl)ccc21.COc1ccc2c(CCNCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cn(C)c2c1.Cc1c(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc2n1C.Cn1cc(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2cc(Cl)ccc21.

What is the InChIKey of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is ATFSIVYMZRTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3.C23H29ClN6O2.C23H30N6O3.C23H30N6O2.C22H27ClN6O2/c1-4-11-33-19-21(24-7-6-23(36-3)15-25(24)33)10-12-31(5-2)18-20-8-13-32(14-9-20)27-28-16-22(17-29-27)26(34)30-35;1-2-7-30-15-18(20-10-19(24)3-4-21(20)30)12-25-11-16-5-8-29(9-6-16)23-26-13-17(14-27-23)22(31)28-32;1-28-15-17(20-4-3-19(32-2)11-21(20)28)5-8-24-12-16-6-9-29(10-7-16)23-25-13-18(14-26-23)22(30)27-31;1-16-19(20-5-3-4-6-21(20)28(16)2)7-10-24-13-17-8-11-29(12-9-17)23-25-14-18(15-26-23)22(30)27-31;1-28-14-16(19-10-18(23)2-3-20(19)28)4-7-24-11-15-5-8-29(9-6-15)22-25-12-17(13-26-22)21(30)27-31/h6-7,15-17,19-20,35H,4-5,8-14,18H2,1-3H3,(H,30,34);3-4,10,13-16,25,32H,2,5-9,11-12H2,1H3,(H,28,31);3-4,11,13-16,24,31H,5-10,12H2,1-2H3,(H,27,30);3-6,14-15,17,24,31H,7-13H2,1-2H3,(H,27,30);2-3,10,12-15,24,31H,4-9,11H2,1H3,(H,27,30).

What are the key properties of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 2255.63 g/mol, XLogP of 14.75, 41 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(6-methoxy-1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 157223163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).