N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide

C160H186N42O16 — CID 159850613

About N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide

N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide (PubChem CID 159850613) has the molecular formula C160H186N42O16 and a molecular weight of 2953.53 g/mol. Its IUPAC name is N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide.

Molecular Properties

• Compound Name: N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide
• PubChem CID: 159850613
• Molecular Formula: C160H186N42O16
• Molecular Weight: 2953.53 g/mol
• Exact Mass: 2951.50
• IUPAC Name: N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide
• SMILES: CCNC(=O)c1cccc(Nc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)c1.Cc1nc(Nc2ccc(Nc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Nc3ccc(O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)NCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)OCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C30H33N7O3.C30H32N6O4.C29H31N7O3.C25H32N8O2.C24H31N7O2.C22H27N7O2/c1-22-32-29(35-30(33-22)37-16-14-36(15-17-37)18-19-38)34-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(39)31-21-23-6-3-2-4-7-23;1-22-31-29(34-30(32-22)36-16-14-35(15-17-36)18-19-37)33-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(38)39-21-23-6-3-2-4-7-23;1-21-30-28(34-29(31-21)36-16-14-35(15-17-36)18-19-37)33-24-10-12-25(13-11-24)39-26-9-5-6-22(20-26)27(38)32-23-7-3-2-4-8-23;1-3-26-23(35)19-5-4-6-22(17-19)29-20-7-9-21(10-8-20)30-24-27-18(2)28-25(31-24)33-13-11-32(12-14-33)15-16-34;1-17(33)19-3-5-20(6-4-19)27-21-7-9-22(10-8-21)28-23-25-18(2)26-24(29-23)31-13-11-30(12-14-31)15-16-32;1-16-23-21(27-22(24-16)29-12-10-28(11-13-29)14-15-30)26-19-4-2-17(3-5-19)25-18-6-8-20(31)9-7-18/h2-13,20,38H,14-19,21H2,1H3,(H,31,39)(H,32,33,34,35);2-13,20,37H,14-19,21H2,1H3,(H,31,32,33,34);2-13,20,37H,14-19H2,1H3,(H,32,38)(H,30,31,33,34);4-10,17,29,34H,3,11-16H2,1-2H3,(H,26,35)(H,27,28,30,31);3-10,17,27,32-33H,11-16H2,1-2H3,(H,25,26,28,29);2-9,25,30-31H,10-15H2,1H3,(H,23,24,26,27)
• InChIKey: NPWOTPJTGPPYGW-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 682.30 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 55
• Rotatable Bonds: 53
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2953.53
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide?

The IUPAC name of N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide (CID 159850613) is N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide.

What is the SMILES notation for N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide?

The canonical SMILES for N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide is CCNC(=O)c1cccc(Nc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)c1.Cc1nc(Nc2ccc(Nc3ccc(C(C)O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Nc3ccc(O)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)NCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc(C(=O)OCc4ccccc4)c3)cc2)nc(N2CCN(CCO)CC2)n1.

What is the InChIKey of N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide?

The InChIKey is NPWOTPJTGPPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C30H32N6O4.C29H31N7O3.C25H32N8O2.C24H31N7O2.C22H27N7O2/c1-22-32-29(35-30(33-22)37-16-14-36(15-17-37)18-19-38)34-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(39)31-21-23-6-3-2-4-7-23;1-22-31-29(34-30(32-22)36-16-14-35(15-17-36)18-19-37)33-25-10-12-26(13-11-25)40-27-9-5-8-24(20-27)28(38)39-21-23-6-3-2-4-7-23;1-21-30-28(34-29(31-21)36-16-14-35(15-17-36)18-19-37)33-24-10-12-25(13-11-24)39-26-9-5-6-22(20-26)27(38)32-23-7-3-2-4-8-23;1-3-26-23(35)19-5-4-6-22(17-19)29-20-7-9-21(10-8-20)30-24-27-18(2)28-25(31-24)33-13-11-32(12-14-33)15-16-34;1-17(33)19-3-5-20(6-4-19)27-21-7-9-22(10-8-21)28-23-25-18(2)26-24(29-23)31-13-11-30(12-14-31)15-16-32;1-16-23-21(27-22(24-16)29-12-10-28(11-13-29)14-15-30)26-19-4-2-17(3-5-19)25-18-6-8-20(31)9-7-18/h2-13,20,38H,14-19,21H2,1H3,(H,31,39)(H,32,33,34,35);2-13,20,37H,14-19,21H2,1H3,(H,31,32,33,34);2-13,20,37H,14-19H2,1H3,(H,32,38)(H,30,31,33,34);4-10,17,29,34H,3,11-16H2,1-2H3,(H,26,35)(H,27,28,30,31);3-10,17,27,32-33H,11-16H2,1-2H3,(H,25,26,28,29);2-9,25,30-31H,10-15H2,1H3,(H,23,24,26,27).

What are the key properties of N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide?

N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide has a molecular weight of 2953.53 g/mol, XLogP of 19.88, 53 rotatable bonds, 20 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzamide;benzyl 3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]benzoate;N-ethyl-3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]benzamide;4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenol;1-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]anilino]phenyl]ethanol;3-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]-N-phenylbenzamide is sourced from PubChem (CID 159850613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).