(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid

C123H102Cl4F5N25O11 — CID 161187638

About (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid (PubChem CID 161187638) has the molecular formula C123H102Cl4F5N25O11 and a molecular weight of 2343.13 g/mol. Its IUPAC name is (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid.

Molecular Properties

• Compound Name: (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid
• PubChem CID: 161187638
• Molecular Formula: C123H102Cl4F5N25O11
• Molecular Weight: 2343.13 g/mol
• Exact Mass: 2339.69
• IUPAC Name: (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid
• SMILES: COc1cccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)c1.N#Cc1cccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)c1.O=C(O)c1ccc(CC(=O)C2C(c3ccc(F)cc3F)CCCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1.O=C(O)c1ccc(CC(=O)C2C(c3cccc(C(F)(F)F)c3)CCCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1
• InChI: InChI=1S/C31H25ClF3N5O4.C31H25ClN8O.C31H28ClN7O2.C30H24ClF2N5O4/c32-24-11-12-26(40-18-36-37-38-40)22(17-24)10-13-28(42)39-14-2-5-25(21-3-1-4-23(16-21)31(33,34)35)29(39)27(41)15-19-6-8-20(9-7-19)30(43)44;32-25-12-13-28(40-20-35-37-38-40)24(17-25)11-14-29(41)39-15-5-10-26(22-7-2-1-3-8-22)30(39)31-34-19-27(36-31)23-9-4-6-21(16-23)18-33;1-41-25-10-5-9-22(18-25)27-19-33-31(35-27)30-26(21-7-3-2-4-8-21)11-6-16-38(30)29(40)15-12-23-17-24(32)13-14-28(23)39-20-34-36-37-39;31-21-8-11-26(38-17-34-35-36-38)20(15-21)7-12-28(40)37-13-1-2-24(23-10-9-22(32)16-25(23)33)29(37)27(39)14-18-3-5-19(6-4-18)30(41)42/h1,3-4,6-13,16-18,25,29H,2,5,14-15H2,(H,43,44);1-4,6-9,11-14,16-17,19-20,26,30H,5,10,15H2,(H,34,36);2-5,7-10,12-15,17-20,26,30H,6,11,16H2,1H3,(H,33,35);3-12,15-17,24,29H,1-2,13-14H2,(H,41,42)/b13-10+;14-11+;15-12+;12-7+
• InChIKey: UTHIGZSIQFFSHS-SOWZSZMUSA-N
• XLogP: 22.14
• TPSA: 454.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.13
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid?

The IUPAC name of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid (CID 161187638) is (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid.

What is the SMILES notation for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid?

The canonical SMILES for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid is COc1cccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)c1.N#Cc1cccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)c1.O=C(O)c1ccc(CC(=O)C2C(c3ccc(F)cc3F)CCCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1.O=C(O)c1ccc(CC(=O)C2C(c3cccc(C(F)(F)F)c3)CCCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1.

What is the InChIKey of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid?

The InChIKey is UTHIGZSIQFFSHS-SOWZSZMUSA-N. The full InChI is InChI=1S/C31H25ClF3N5O4.C31H25ClN8O.C31H28ClN7O2.C30H24ClF2N5O4/c32-24-11-12-26(40-18-36-37-38-40)22(17-24)10-13-28(42)39-14-2-5-25(21-3-1-4-23(16-21)31(33,34)35)29(39)27(41)15-19-6-8-20(9-7-19)30(43)44;32-25-12-13-28(40-20-35-37-38-40)24(17-25)11-14-29(41)39-15-5-10-26(22-7-2-1-3-8-22)30(39)31-34-19-27(36-31)23-9-4-6-21(16-23)18-33;1-41-25-10-5-9-22(18-25)27-19-33-31(35-27)30-26(21-7-3-2-4-8-21)11-6-16-38(30)29(40)15-12-23-17-24(32)13-14-28(23)39-20-34-36-37-39;31-21-8-11-26(38-17-34-35-36-38)20(15-21)7-12-28(40)37-13-1-2-24(23-10-9-22(32)16-25(23)33)29(37)27(39)14-18-3-5-19(6-4-18)30(41)42/h1,3-4,6-13,16-18,25,29H,2,5,14-15H2,(H,43,44);1-4,6-9,11-14,16-17,19-20,26,30H,5,10,15H2,(H,34,36);2-5,7-10,12-15,17-20,26,30H,6,11,16H2,1H3,(H,33,35);3-12,15-17,24,29H,1-2,13-14H2,(H,41,42)/b13-10+;14-11+;15-12+;12-7+.

What are the key properties of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid?

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid has a molecular weight of 2343.13 g/mol, XLogP of 22.14, 29 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]prop-2-en-1-one;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(2,4-difluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid;3-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-[3-(trifluoromethyl)phenyl]piperidin-2-yl]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 161187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).