2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone

C192H178N10O19S3 — CID 159376967

About 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone

2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone (PubChem CID 159376967) has the molecular formula C192H178N10O19S3 and a molecular weight of 3025.79 g/mol. Its IUPAC name is 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone
• PubChem CID: 159376967
• Molecular Formula: C192H178N10O19S3
• Molecular Weight: 3025.79 g/mol
• Exact Mass: 3023.24
• IUPAC Name: 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone
• SMILES: CCCOc1ccc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4cccs4)cc3)cc2)cc1.Cc1cc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4ccc(N5CCCCC5)cc4)cc3)cc2)n[nH]1.Cc1ccsc1C(=O)Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1.Cc1csc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4ccc(N5CCCCC5)cc4)cc3)cc2)c1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc[nH]3)cc2)cc1)c1ccc(N2CCCCC2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cncnc3)cc2)cc1)c1ccc(N2CCCCC2)cc1
• InChI: InChI=1S/2C33H31NO3S.C32H31N3O3.C32H29N3O3.C32H30N2O3.C30H26O4S/c1-23-17-20-38-33(23)31(36)22-25-7-11-28(12-8-25)32(37)27-9-5-24(6-10-27)21-30(35)26-13-15-29(16-14-26)34-18-3-2-4-19-34;1-23-19-32(38-22-23)31(36)21-25-7-11-28(12-8-25)33(37)27-9-5-24(6-10-27)20-30(35)26-13-15-29(16-14-26)34-17-3-2-4-18-34;1-22-19-29(34-33-22)31(37)21-24-7-11-27(12-8-24)32(38)26-9-5-23(6-10-26)20-30(36)25-13-15-28(16-14-25)35-17-3-2-4-18-35;36-30(25-12-14-29(15-13-25)35-16-2-1-3-17-35)18-23-4-8-26(9-5-23)32(38)27-10-6-24(7-11-27)19-31(37)28-20-33-22-34-21-28;35-30(25-14-16-28(17-15-25)34-19-2-1-3-20-34)21-23-6-10-26(11-7-23)32(37)27-12-8-24(9-13-27)22-31(36)29-5-4-18-33-29;1-2-17-34-26-15-13-23(14-16-26)27(31)19-21-5-9-24(10-6-21)30(33)25-11-7-22(8-12-25)20-28(32)29-4-3-18-35-29/h5-17,20H,2-4,18-19,21-22H2,1H3;5-16,19,22H,2-4,17-18,20-21H2,1H3;5-16,19H,2-4,17-18,20-21H2,1H3,(H,33,34);4-15,20-22H,1-3,16-19H2;4-18,33H,1-3,19-22H2;3-16,18H,2,17,19-20H2,1H3
• InChIKey: LKLCVFLVURIVFM-UHFFFAOYSA-N
• XLogP: 38.30
• TPSA: 402.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 56
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3025.79
LogP ≤ 5	38.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone?

The IUPAC name of 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone (CID 159376967) is 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone.

What is the SMILES notation for 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone?

The canonical SMILES for 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4cccs4)cc3)cc2)cc1.Cc1cc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4ccc(N5CCCCC5)cc4)cc3)cc2)n[nH]1.Cc1ccsc1C(=O)Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1.Cc1csc(C(=O)Cc2ccc(C(=O)c3ccc(CC(=O)c4ccc(N5CCCCC5)cc4)cc3)cc2)c1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc[nH]3)cc2)cc1)c1ccc(N2CCCCC2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cncnc3)cc2)cc1)c1ccc(N2CCCCC2)cc1.

What is the InChIKey of 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone?

The InChIKey is LKLCVFLVURIVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H31NO3S.C32H31N3O3.C32H29N3O3.C32H30N2O3.C30H26O4S/c1-23-17-20-38-33(23)31(36)22-25-7-11-28(12-8-25)32(37)27-9-5-24(6-10-27)21-30(35)26-13-15-29(16-14-26)34-18-3-2-4-19-34;1-23-19-32(38-22-23)31(36)21-25-7-11-28(12-8-25)33(37)27-9-5-24(6-10-27)20-30(35)26-13-15-29(16-14-26)34-17-3-2-4-18-34;1-22-19-29(34-33-22)31(37)21-24-7-11-27(12-8-24)32(38)26-9-5-23(6-10-26)20-30(36)25-13-15-28(16-14-25)35-17-3-2-4-18-35;36-30(25-12-14-29(15-13-25)35-16-2-1-3-17-35)18-23-4-8-26(9-5-23)32(38)27-10-6-24(7-11-27)19-31(37)28-20-33-22-34-21-28;35-30(25-14-16-28(17-15-25)34-19-2-1-3-20-34)21-23-6-10-26(11-7-23)32(37)27-12-8-24(9-13-27)22-31(36)29-5-4-18-33-29;1-2-17-34-26-15-13-23(14-16-26)27(31)19-21-5-9-24(10-6-21)30(33)25-11-7-22(8-12-25)20-28(32)29-4-3-18-35-29/h5-17,20H,2-4,18-19,21-22H2,1H3;5-16,19,22H,2-4,17-18,20-21H2,1H3;5-16,19H,2-4,17-18,20-21H2,1H3,(H,33,34);4-15,20-22H,1-3,16-19H2;4-18,33H,1-3,19-22H2;3-16,18H,2,17,19-20H2,1H3.

What are the key properties of 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone?

2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone has a molecular weight of 3025.79 g/mol, XLogP of 38.30, 56 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 159376967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).