2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

C118H145F6N15O20 — CID 158856140

About 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (PubChem CID 158856140) has the molecular formula C118H145F6N15O20 and a molecular weight of 2207.53 g/mol. Its IUPAC name is 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

Molecular Properties

• Compound Name: 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• PubChem CID: 158856140
• Molecular Formula: C118H145F6N15O20
• Molecular Weight: 2207.53 g/mol
• Exact Mass: 2206.07
• IUPAC Name: 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• SMILES: CC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC(F)(F)F)c3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC)cc3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC(F)(F)F)c3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC)c3)n2)CC1.COc1ccc(-c2cccc(N3CCN(CCCC(=O)OCC(C)=O)CC3)n2)cc1
• InChI: InChI=1S/C24H28F3N3O4.2C24H31N3O4.C23H26F3N3O4.C23H29N3O4/c1-2-19(31)17-33-23(32)10-5-11-29-12-14-30(15-13-29)22-9-4-8-21(28-22)18-6-3-7-20(16-18)34-24(25,26)27;1-3-20(28)18-31-24(29)11-6-12-26-13-15-27(16-14-26)23-10-5-9-22(25-23)19-7-4-8-21(17-19)30-2;1-3-20(28)18-31-24(29)8-5-13-26-14-16-27(17-15-26)23-7-4-6-22(25-23)19-9-11-21(30-2)12-10-19;1-17(30)16-32-22(31)9-4-10-28-11-13-29(14-12-28)21-8-3-7-20(27-21)18-5-2-6-19(15-18)33-23(24,25)26;1-18(27)17-30-23(28)7-4-12-25-13-15-26(16-14-25)22-6-3-5-21(24-22)19-8-10-20(29-2)11-9-19/h3-4,6-9,16H,2,5,10-15,17H2,1H3;4-5,7-10,17H,3,6,11-16,18H2,1-2H3;4,6-7,9-12H,3,5,8,13-18H2,1-2H3;2-3,5-8,15H,4,9-14,16H2,1H3;3,5-6,8-11H,4,7,12-17H2,1-2H3
• InChIKey: JABNMQIIYMGVGU-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 359.85 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.53
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The IUPAC name of 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (CID 158856140) is 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

What is the SMILES notation for 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The canonical SMILES for 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is CC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC(F)(F)F)c3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC)cc3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC(F)(F)F)c3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3cccc(OC)c3)n2)CC1.COc1ccc(-c2cccc(N3CCN(CCCC(=O)OCC(C)=O)CC3)n2)cc1.

What is the InChIKey of 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The InChIKey is JABNMQIIYMGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4.2C24H31N3O4.C23H26F3N3O4.C23H29N3O4/c1-2-19(31)17-33-23(32)10-5-11-29-12-14-30(15-13-29)22-9-4-8-21(28-22)18-6-3-7-20(16-18)34-24(25,26)27;1-3-20(28)18-31-24(29)11-6-12-26-13-15-27(16-14-26)23-10-5-9-22(25-23)19-7-4-8-21(17-19)30-2;1-3-20(28)18-31-24(29)8-5-13-26-14-16-27(17-15-26)23-7-4-6-22(25-23)19-9-11-21(30-2)12-10-19;1-17(30)16-32-22(31)9-4-10-28-11-13-29(14-12-28)21-8-3-7-20(27-21)18-5-2-6-19(15-18)33-23(24,25)26;1-18(27)17-30-23(28)7-4-12-25-13-15-26(16-14-25)22-6-3-5-21(24-22)19-8-10-20(29-2)11-9-19/h3-4,6-9,16H,2,5,10-15,17H2,1H3;4-5,7-10,17H,3,6,11-16,18H2,1-2H3;4,6-7,9-12H,3,5,8,13-18H2,1-2H3;2-3,5-8,15H,4,9-14,16H2,1H3;3,5-6,8-11H,4,7,12-17H2,1-2H3.

What are the key properties of 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate has a molecular weight of 2207.53 g/mol, XLogP of 16.91, 48 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 158856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).