sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid

C102H142N25NaO16 — CID 159961178

About sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid

sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid (PubChem CID 159961178) has the molecular formula C102H142N25NaO16 and a molecular weight of 1997.41 g/mol. Its IUPAC name is sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid.

Molecular Properties

• Compound Name: sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid
• PubChem CID: 159961178
• Molecular Formula: C102H142N25NaO16
• Molecular Weight: 1997.41 g/mol
• Exact Mass: 1996.10
• IUPAC Name: sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid
• SMILES: CCOC(=O)COC1CCC(N)CC1.CCOC(=O)COC1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(C)cc4)n3)CC2)CC1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)N(C)C)CC4)CC3)n2)cc1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)O)CC4)CC3)n2)cc1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)[O-])CC3)n2)cc1.[Na+]
• InChI: InChI=1S/C26H37N7O3.C26H36N6O4.C24H32N6O4.C16H19N5O2.C10H19NO3.Na/c1-19-4-6-20(7-5-19)23-16-27-30-26(29-23)33-14-12-32(13-15-33)17-24(34)28-21-8-10-22(11-9-21)36-18-25(35)31(2)3;1-3-35-25(34)18-36-22-10-8-21(9-11-22)28-24(33)17-31-12-14-32(15-13-31)26-29-23(16-27-30-26)20-6-4-19(2)5-7-20;1-17-2-4-18(5-3-17)21-14-25-28-24(27-21)30-12-10-29(11-13-30)15-22(31)26-19-6-8-20(9-7-19)34-16-23(32)33;1-12-2-4-13(5-3-12)14-10-17-19-16(18-14)21-8-6-20(7-9-21)11-15(22)23;1-2-13-10(12)7-14-9-5-3-8(11)4-6-9;/h4-7,16,21-22H,8-15,17-18H2,1-3H3,(H,28,34);4-7,16,21-22H,3,8-15,17-18H2,1-2H3,(H,28,33);2-5,14,19-20H,6-13,15-16H2,1H3,(H,26,31)(H,32,33);2-5,10H,6-9,11H2,1H3,(H,22,23);8-9H,2-7,11H2,1H3;/q;;;;;+1/p-1
• InChIKey: ODIUWQZSJPPIHW-UHFFFAOYSA-M
• XLogP: 2.53
• TPSA: 481.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1997.41
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid?

The IUPAC name of sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid (CID 159961178) is sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid.

What is the SMILES notation for sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid?

The canonical SMILES for sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid is CCOC(=O)COC1CCC(N)CC1.CCOC(=O)COC1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(C)cc4)n3)CC2)CC1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)N(C)C)CC4)CC3)n2)cc1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)O)CC4)CC3)n2)cc1.Cc1ccc(-c2cnnc(N3CCN(CC(=O)[O-])CC3)n2)cc1.[Na+].

What is the InChIKey of sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid?

The InChIKey is ODIUWQZSJPPIHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H37N7O3.C26H36N6O4.C24H32N6O4.C16H19N5O2.C10H19NO3.Na/c1-19-4-6-20(7-5-19)23-16-27-30-26(29-23)33-14-12-32(13-15-33)17-24(34)28-21-8-10-22(11-9-21)36-18-25(35)31(2)3;1-3-35-25(34)18-36-22-10-8-21(9-11-22)28-24(33)17-31-12-14-32(15-13-31)26-29-23(16-27-30-26)20-6-4-19(2)5-7-20;1-17-2-4-18(5-3-17)21-14-25-28-24(27-21)30-12-10-29(11-13-30)15-22(31)26-19-6-8-20(9-7-19)34-16-23(32)33;1-12-2-4-13(5-3-12)14-10-17-19-16(18-14)21-8-6-20(7-9-21)11-15(22)23;1-2-13-10(12)7-14-9-5-3-8(11)4-6-9;/h4-7,16,21-22H,8-15,17-18H2,1-3H3,(H,28,34);4-7,16,21-22H,3,8-15,17-18H2,1-2H3,(H,28,33);2-5,14,19-20H,6-13,15-16H2,1H3,(H,26,31)(H,32,33);2-5,10H,6-9,11H2,1H3,(H,22,23);8-9H,2-7,11H2,1H3;/q;;;;;+1/p-1.

What are the key properties of sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid?

sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid has a molecular weight of 1997.41 g/mol, XLogP of 2.53, 33 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;ethyl 2-(4-aminocyclohexyl)oxyacetate;ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate;2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid is sourced from PubChem (CID 159961178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).