(3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride

C198H223B2Br3Cl10N14O17S7 — CID 157311733

About (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride

(3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride (PubChem CID 157311733) has the molecular formula C198H223B2Br3Cl10N14O17S7 and a molecular weight of 3911.38 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride
• PubChem CID: 157311733
• Molecular Formula: C198H223B2Br3Cl10N14O17S7
• Molecular Weight: 3911.38 g/mol
• Exact Mass: 3900.97
• IUPAC Name: (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride
• SMILES: Brc1csc(Br)c1.CC(C)(C)OC(=O)CC1CCCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC(C)(C)OC(=O)NC1CCCNC1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(CCc5ccc(Cl)cc5)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(CCc5ccc(Cl)cc5)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(N)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(Br)cs2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cl.O=C(O)c1ccc(B(O)O)c(Cl)c1.O=Cc1ccc(Cl)cc1
• InChI: InChI=1S/2C33H34Cl2N2OS.C31H37ClN2O3S.C25H28ClN3OS.C20H18ClNO2S.C15H24BNO2.C13H14BrNS.C10H20N2O2.C7H6BClO4.C7H5ClO.C4H2Br2S.ClH/c2*1-33(2,3)31-19-24(14-15-36-31)30-18-26(21-39-30)28-13-10-25(17-29(28)35)32(38)37-16-4-5-23(20-37)7-6-22-8-11-27(34)12-9-22;1-30(2,3)27-17-21(11-12-33-27)26-16-23(19-38-26)24-10-9-22(15-25(24)32)29(36)34-13-7-8-20(18-34)14-28(35)37-31(4,5)6;1-25(2,3)23-13-16(8-9-28-23)22-12-18(15-31-22)20-7-6-17(11-21(20)26)24(30)29-10-4-5-19(27)14-29;1-20(2,3)18-10-12(6-7-22-18)17-9-14(11-25-17)15-5-4-13(19(23)24)8-16(15)21;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-13(2,3)12-6-9(4-5-15-12)11-7-10(14)8-16-11;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;9-6-3-4(7(10)11)1-2-5(6)8(12)13;8-7-3-1-6(5-9)2-4-7;5-3-1-4(6)7-2-3;/h2*8-15,17-19,21,23H,4-7,16,20H2,1-3H3;9-12,15-17,19-20H,7-8,13-14,18H2,1-6H3;6-9,11-13,15,19H,4-5,10,14,27H2,1-3H3;4-11H,1-3H3,(H,23,24);8-10H,1-7H3;4-8H,1-3H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3,12-13H,(H,10,11);1-5H;1-2H;1H
• InChIKey: WGLZISVLJMHJED-UHFFFAOYSA-N
• XLogP: 53.64
• TPSA: 424.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3911.38
LogP ≤ 5	53.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride?

The IUPAC name of (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride (CID 157311733) is (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride?

The canonical SMILES for (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride is Brc1csc(Br)c1.CC(C)(C)OC(=O)CC1CCCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC(C)(C)OC(=O)NC1CCCNC1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(CCc5ccc(Cl)cc5)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(CCc5ccc(Cl)cc5)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCCC(N)C4)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3Cl)cs2)ccn1.CC(C)(C)c1cc(-c2cc(Br)cs2)ccn1.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cl.O=C(O)c1ccc(B(O)O)c(Cl)c1.O=Cc1ccc(Cl)cc1.

What is the InChIKey of (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride?

The InChIKey is WGLZISVLJMHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34Cl2N2OS.C31H37ClN2O3S.C25H28ClN3OS.C20H18ClNO2S.C15H24BNO2.C13H14BrNS.C10H20N2O2.C7H6BClO4.C7H5ClO.C4H2Br2S.ClH/c2*1-33(2,3)31-19-24(14-15-36-31)30-18-26(21-39-30)28-13-10-25(17-29(28)35)32(38)37-16-4-5-23(20-37)7-6-22-8-11-27(34)12-9-22;1-30(2,3)27-17-21(11-12-33-27)26-16-23(19-38-26)24-10-9-22(15-25(24)32)29(36)34-13-7-8-20(18-34)14-28(35)37-31(4,5)6;1-25(2,3)23-13-16(8-9-28-23)22-12-18(15-31-22)20-7-6-17(11-21(20)26)24(30)29-10-4-5-19(27)14-29;1-20(2,3)18-10-12(6-7-22-18)17-9-14(11-25-17)15-5-4-13(19(23)24)8-16(15)21;1-13(2,3)12-10-11(8-9-17-12)16-18-14(4,5)15(6,7)19-16;1-13(2,3)12-6-9(4-5-15-12)11-7-10(14)8-16-11;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;9-6-3-4(7(10)11)1-2-5(6)8(12)13;8-7-3-1-6(5-9)2-4-7;5-3-1-4(6)7-2-3;/h2*8-15,17-19,21,23H,4-7,16,20H2,1-3H3;9-12,15-17,19-20H,7-8,13-14,18H2,1-6H3;6-9,11-13,15,19H,4-5,10,14,27H2,1-3H3;4-11H,1-3H3,(H,23,24);8-10H,1-7H3;4-8H,1-3H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3,12-13H,(H,10,11);1-5H;1-2H;1H.

What are the key properties of (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride?

(3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride has a molecular weight of 3911.38 g/mol, XLogP of 53.64, 29 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;4-borono-3-chlorobenzoic acid;4-(4-bromothiophen-2-yl)-2-tert-butylpyridine;tert-butyl 2-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]acetate;tert-butyl N-piperidin-3-ylcarbamate;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoic acid;bis([4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]methanone);2-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-chlorobenzaldehyde;2,4-dibromothiophene;hydrochloride is sourced from PubChem (CID 157311733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).