[2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

C161H201F6N21O24 — CID 158778755

About [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

[2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (PubChem CID 158778755) has the molecular formula C161H201F6N21O24 and a molecular weight of 2928.49 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

Molecular Properties

• Compound Name: [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• PubChem CID: 158778755
• Molecular Formula: C161H201F6N21O24
• Molecular Weight: 2928.49 g/mol
• Exact Mass: 2926.51
• IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• SMILES: CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(CO)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CNC(=O)COC(=O)CCCCN1CCN(c2cccc3ccccc23)CC1.CNC(=O)COC(=O)CCCN1CCN(c2cccc3ccccc23)CC1
• InChI: InChI=1S/C24H28F3N3O4.C24H31N3O4.C24H31N3O3.C23H26F3N3O4.C23H29N3O3.C22H29N3O3.C21H27N3O3/c1-2-20(31)17-33-23(32)7-4-10-29-11-13-30(14-12-29)22-9-8-19(16-28-22)18-5-3-6-21(15-18)34-24(25,26)27;1-2-22(29)18-31-24(30)4-3-11-26-12-14-27(15-13-26)23-10-9-21(16-25-23)20-7-5-19(17-28)6-8-20;1-3-22(28)18-30-24(29)5-4-12-26-13-15-27(16-14-26)23-11-10-21(17-25-23)20-8-6-19(2)7-9-20;1-17(30)16-32-22(31)6-3-9-28-10-12-29(13-11-28)21-8-7-19(15-27-21)18-4-2-5-20(14-18)33-23(24,25)26;1-18-5-7-20(8-6-18)21-9-10-22(24-16-21)26-14-12-25(13-15-26)11-3-4-23(28)29-17-19(2)27;1-23-21(26)17-28-22(27)11-4-5-12-24-13-15-25(16-14-24)20-10-6-8-18-7-2-3-9-19(18)20;1-22-20(25)16-27-21(26)10-5-11-23-12-14-24(15-13-23)19-9-4-7-17-6-2-3-8-18(17)19/h3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;5-10,16,28H,2-4,11-15,17-18H2,1H3;6-11,17H,3-5,12-16,18H2,1-2H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;5-10,16H,3-4,11-15,17H2,1-2H3;2-3,6-10H,4-5,11-17H2,1H3,(H,23,26);2-4,6-9H,5,10-16H2,1H3,(H,22,25)
• InChIKey: IQUODIXARIHYCF-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 476.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 61
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.49
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (CID 158778755) is [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(CO)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CNC(=O)COC(=O)CCCCN1CCN(c2cccc3ccccc23)CC1.CNC(=O)COC(=O)CCCN1CCN(c2cccc3ccccc23)CC1.

What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The InChIKey is IQUODIXARIHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4.C24H31N3O4.C24H31N3O3.C23H26F3N3O4.C23H29N3O3.C22H29N3O3.C21H27N3O3/c1-2-20(31)17-33-23(32)7-4-10-29-11-13-30(14-12-29)22-9-8-19(16-28-22)18-5-3-6-21(15-18)34-24(25,26)27;1-2-22(29)18-31-24(30)4-3-11-26-12-14-27(15-13-26)23-10-9-21(16-25-23)20-7-5-19(17-28)6-8-20;1-3-22(28)18-30-24(29)5-4-12-26-13-15-27(16-14-26)23-11-10-21(17-25-23)20-8-6-19(2)7-9-20;1-17(30)16-32-22(31)6-3-9-28-10-12-29(13-11-28)21-8-7-19(15-27-21)18-4-2-5-20(14-18)33-23(24,25)26;1-18-5-7-20(8-6-18)21-9-10-22(24-16-21)26-14-12-25(13-15-26)11-3-4-23(28)29-17-19(2)27;1-23-21(26)17-28-22(27)11-4-5-12-24-13-15-25(16-14-24)20-10-6-8-18-7-2-3-9-19(18)20;1-22-20(25)16-27-21(26)10-5-11-23-12-14-24(15-13-23)19-9-4-7-17-6-2-3-8-18(17)19/h3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;5-10,16,28H,2-4,11-15,17-18H2,1H3;6-11,17H,3-5,12-16,18H2,1-2H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;5-10,16H,3-4,11-15,17H2,1-2H3;2-3,6-10H,4-5,11-17H2,1H3,(H,23,26);2-4,6-9H,5,10-16H2,1H3,(H,22,25).

What are the key properties of [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

[2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate has a molecular weight of 2928.49 g/mol, XLogP of 21.44, 61 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 158778755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).