[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate

C196H199ClF5N21O29S7 — CID 162162141

About [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate

[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 162162141) has the molecular formula C196H199ClF5N21O29S7 and a molecular weight of 3667.78 g/mol. Its IUPAC name is [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate
• PubChem CID: 162162141
• Molecular Formula: C196H199ClF5N21O29S7
• Molecular Weight: 3667.78 g/mol
• Exact Mass: 3664.24
• IUPAC Name: [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate
• SMILES: CC(C)(C)c1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.CC(C)COC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CC(C)OC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1cc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(F)cc1Cl.Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)ccc2C(F)(F)F)CC1
• InChI: InChI=1S/C32H35N3O3S.C31H31N3O4S.C29H27ClFN3O4S.C29H25F4N3O3S.C26H29N3O5S.C25H27N3O5S.C24H25N3O5S/c1-32(2,3)28-15-11-24(12-16-28)22-34-18-20-35(21-19-34)31(36)27-13-9-25(10-14-27)23-39(37,38)29-8-4-6-26-7-5-17-33-30(26)29;1-23-7-9-24(10-8-23)13-16-29(35)33-18-20-34(21-19-33)31(36)27-14-11-25(12-15-27)22-39(37,38)28-6-2-4-26-5-3-17-32-30(26)28;1-38-26-16-23(25(31)17-24(26)30)18-33-12-14-34(15-13-33)29(35)22-9-7-20(8-10-22)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;30-24-10-11-25(29(31,32)33)23(17-24)18-35-13-15-36(16-14-35)28(37)22-8-6-20(7-9-22)19-40(38,39)26-5-1-3-21-4-2-12-34-27(21)26;1-19(2)17-34-26(31)29-15-13-28(14-16-29)25(30)22-10-8-20(9-11-22)18-35(32,33)23-7-3-5-21-6-4-12-27-24(21)23;1-18(2)33-25(30)28-15-13-27(14-16-28)24(29)21-10-8-19(9-11-21)17-34(31,32)22-7-3-5-20-6-4-12-26-23(20)22;1-2-32-24(29)27-15-13-26(14-16-27)23(28)20-10-8-18(9-11-20)17-33(30,31)21-7-3-5-19-6-4-12-25-22(19)21/h4-17H,18-23H2,1-3H3;2-12,14-15,17H,13,16,18-22H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;1-12,17H,13-16,18-19H2;3-12,19H,13-18H2,1-2H3;3-12,18H,13-17H2,1-2H3;3-12H,2,13-17H2,1H3
• InChIKey: ZMQACUUJVRAWNG-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 599.26 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 42
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3667.78
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?

The IUPAC name of [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate (CID 162162141) is [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate.

What is the SMILES notation for [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?

The canonical SMILES for [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate is CC(C)(C)c1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.CC(C)COC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CC(C)OC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1cc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(F)cc1Cl.Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)ccc2C(F)(F)F)CC1.

What is the InChIKey of [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?

The InChIKey is ZMQACUUJVRAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S.C31H31N3O4S.C29H27ClFN3O4S.C29H25F4N3O3S.C26H29N3O5S.C25H27N3O5S.C24H25N3O5S/c1-32(2,3)28-15-11-24(12-16-28)22-34-18-20-35(21-19-34)31(36)27-13-9-25(10-14-27)23-39(37,38)29-8-4-6-26-7-5-17-33-30(26)29;1-23-7-9-24(10-8-23)13-16-29(35)33-18-20-34(21-19-33)31(36)27-14-11-25(12-15-27)22-39(37,38)28-6-2-4-26-5-3-17-32-30(26)28;1-38-26-16-23(25(31)17-24(26)30)18-33-12-14-34(15-13-33)29(35)22-9-7-20(8-10-22)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;30-24-10-11-25(29(31,32)33)23(17-24)18-35-13-15-36(16-14-35)28(37)22-8-6-20(7-9-22)19-40(38,39)26-5-1-3-21-4-2-12-34-27(21)26;1-19(2)17-34-26(31)29-15-13-28(14-16-29)25(30)22-10-8-20(9-11-22)18-35(32,33)23-7-3-5-21-6-4-12-27-24(21)23;1-18(2)33-25(30)28-15-13-27(14-16-28)24(29)21-10-8-19(9-11-21)17-34(31,32)22-7-3-5-20-6-4-12-26-23(20)22;1-2-32-24(29)27-15-13-26(14-16-27)23(28)20-10-8-18(9-11-20)17-33(30,31)21-7-3-5-19-6-4-12-25-22(19)21/h4-17H,18-23H2,1-3H3;2-12,14-15,17H,13,16,18-22H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;1-12,17H,13-16,18-19H2;3-12,19H,13-18H2,1-2H3;3-12,18H,13-17H2,1-2H3;3-12H,2,13-17H2,1H3.

What are the key properties of [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?

[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 3667.78 g/mol, XLogP of 30.58, 42 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;3-(4-methylphenyl)-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;2-methylpropyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;propan-2-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 162162141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).