2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

C137H162Cl4F6N18O20 — CID 160532867

About 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (PubChem CID 160532867) has the molecular formula C137H162Cl4F6N18O20 and a molecular weight of 2636.71 g/mol. Its IUPAC name is 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

Molecular Properties

• Compound Name: 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• PubChem CID: 160532867
• Molecular Formula: C137H162Cl4F6N18O20
• Molecular Weight: 2636.71 g/mol
• Exact Mass: 2633.09
• IUPAC Name: 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
• SMILES: CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1
• InChI: InChI=1S/C24H28F3N3O4.2C23H28ClN3O3.C23H26F3N3O4.2C22H26ClN3O3/c1-2-19(31)17-33-23(32)7-4-12-29-13-15-30(16-14-29)22-6-3-5-21(28-22)18-8-10-20(11-9-18)34-24(25,26)27;1-2-21(28)17-30-23(29)7-4-10-26-11-13-27(14-12-26)22-9-8-19(16-25-22)18-5-3-6-20(24)15-18;1-2-21(28)17-30-23(29)4-3-11-26-12-14-27(15-13-26)22-10-7-19(16-25-22)18-5-8-20(24)9-6-18;1-17(30)16-32-22(31)6-3-11-28-12-14-29(15-13-28)21-5-2-4-20(27-21)18-7-9-19(10-8-18)33-23(24,25)26;1-17(27)16-29-22(28)6-3-9-25-10-12-26(13-11-25)21-8-7-19(15-24-21)18-4-2-5-20(23)14-18;1-17(27)16-29-22(28)3-2-10-25-11-13-26(14-12-25)21-9-6-19(15-24-21)18-4-7-20(23)8-5-18/h3,5-6,8-11H,2,4,7,12-17H2,1H3;3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;5-10,16H,2-4,11-15,17H2,1H3;2,4-5,7-10H,3,6,11-16H2,1H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;4-9,15H,2-3,10-14,16H2,1H3
• InChIKey: QVTXNJWVYDCPSG-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 394.90 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 53
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.71
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The IUPAC name of 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (CID 160532867) is 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

What is the SMILES notation for 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The canonical SMILES for 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1.

What is the InChIKey of 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

The InChIKey is QVTXNJWVYDCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4.2C23H28ClN3O3.C23H26F3N3O4.2C22H26ClN3O3/c1-2-19(31)17-33-23(32)7-4-12-29-13-15-30(16-14-29)22-6-3-5-21(28-22)18-8-10-20(11-9-18)34-24(25,26)27;1-2-21(28)17-30-23(29)7-4-10-26-11-13-27(14-12-26)22-9-8-19(16-25-22)18-5-3-6-20(24)15-18;1-2-21(28)17-30-23(29)4-3-11-26-12-14-27(15-13-26)22-10-7-19(16-25-22)18-5-8-20(24)9-6-18;1-17(30)16-32-22(31)6-3-11-28-12-14-29(15-13-28)21-5-2-4-20(27-21)18-7-9-19(10-8-18)33-23(24,25)26;1-17(27)16-29-22(28)6-3-9-25-10-12-26(13-11-25)21-8-7-19(15-24-21)18-4-2-5-20(23)14-18;1-17(27)16-29-22(28)3-2-10-25-11-13-26(14-12-25)21-9-6-19(15-24-21)18-4-7-20(23)8-5-18/h3,5-6,8-11H,2,4,7,12-17H2,1H3;3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;5-10,16H,2-4,11-15,17H2,1H3;2,4-5,7-10H,3,6,11-16H2,1H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;4-9,15H,2-3,10-14,16H2,1H3.

What are the key properties of 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?

2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate has a molecular weight of 2636.71 g/mol, XLogP of 22.28, 53 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 160532867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).