3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

C143H164ClFN24O16 — CID 158953266

About 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (PubChem CID 158953266) has the molecular formula C143H164ClFN24O16 and a molecular weight of 2529.49 g/mol. Its IUPAC name is 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.

Molecular Properties

• Compound Name: 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
• PubChem CID: 158953266
• Molecular Formula: C143H164ClFN24O16
• Molecular Weight: 2529.49 g/mol
• Exact Mass: 2527.24
• IUPAC Name: 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
• SMILES: C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(C)cc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(Cl)cc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1F)C1CCCNC1.COc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1ccnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)c1C.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)c(C)c1
• InChI: InChI=1S/C25H30N4O2.C24H27ClN4O2.2C24H28N4O3.C23H25FN4O2.C23H26N4O4/c1-16-13-17(2)24(27-14-16)29(21-7-6-12-26-15-21)18(3)19-8-10-20(11-9-19)22-23(30)25(4,5)31-28-22;1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-11-13-26-22(16(15)2)28(19-6-5-12-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-15(16-8-10-17(11-9-16)20-21(29)23(2,3)30-27-20)28(18-6-4-12-25-14-18)22-19(24)7-5-13-26-22;1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21/h8-11,13-14,21,26H,3,6-7,12,15H2,1-2,4-5H3;7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;7-11,13,19,25H,5-6,12,14H2,1-4H3;7-10,12-13,19,25H,5-6,11,14H2,1-4H3;5,7-11,13,18,25H,1,4,6,12,14H2,2-3H3;5,7-11,13,17,24H,4,6,12,14H2,1-3H3
• InChIKey: JLRROVPEBUWJPQ-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 461.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.49
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The IUPAC name of 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (CID 158953266) is 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.

What is the SMILES notation for 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The canonical SMILES for 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(C)cc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(Cl)cc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1F)C1CCCNC1.COc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1ccnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)c1C.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)c(C)c1.

What is the InChIKey of 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The InChIKey is JLRROVPEBUWJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C24H27ClN4O2.2C24H28N4O3.C23H25FN4O2.C23H26N4O4/c1-16-13-17(2)24(27-14-16)29(21-7-6-12-26-15-21)18(3)19-8-10-20(11-9-19)22-23(30)25(4,5)31-28-22;1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-11-13-26-22(16(15)2)28(19-6-5-12-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-15(16-8-10-17(11-9-16)20-21(29)23(2,3)30-27-20)28(18-6-4-12-25-14-18)22-19(24)7-5-13-26-22;1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21/h8-11,13-14,21,26H,3,6-7,12,15H2,1-2,4-5H3;7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;7-11,13,19,25H,5-6,12,14H2,1-4H3;7-10,12-13,19,25H,5-6,11,14H2,1-4H3;5,7-11,13,18,25H,1,4,6,12,14H2,2-3H3;5,7-11,13,17,24H,4,6,12,14H2,1-3H3.

What are the key properties of 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one has a molecular weight of 2529.49 g/mol, XLogP of 20.83, 28 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,4-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-piperidin-3-ylbenzamide;3-[4-[1-[(3,5-dimethyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;3-[4-[1-[(3-fluoro-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is sourced from PubChem (CID 158953266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).