3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C24H24F3N5O3S — CID 121397147

About 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 121397147) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• PubChem CID: 121397147
• Molecular Formula: C24H24F3N5O3S
• Molecular Weight: 519.55 g/mol
• Exact Mass: 519.16
• IUPAC Name: 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(OC3CCC(=O)N(C)C3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C24H24F3N5O3S/c1-13-9-28-22(36-13)16-6-15(7-19(8-16)35-18-4-5-20(33)32(3)12-18)21(34)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h6-11,14,18H,4-5,12H2,1-3H3,(H,31,34)/t14-,18?/m1/s1
• InChIKey: CGMVCPWOPCCFBE-IKJXHCRLSA-N
• XLogP: 4.42
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.55
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The IUPAC name of 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 121397147) is 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

What is the SMILES notation for 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The canonical SMILES for 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(OC3CCC(=O)N(C)C3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.

What is the InChIKey of 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The InChIKey is CGMVCPWOPCCFBE-IKJXHCRLSA-N. The full InChI is InChI=1S/C24H24F3N5O3S/c1-13-9-28-22(36-13)16-6-15(7-19(8-16)35-18-4-5-20(33)32(3)12-18)21(34)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h6-11,14,18H,4-5,12H2,1-3H3,(H,31,34)/t14-,18?/m1/s1.

What are the key properties of 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 519.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methyl-6-oxopiperidin-3-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 121397147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).