(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C26H27N3O4S — CID 26011864

About (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26011864) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
• PubChem CID: 26011864
• Molecular Formula: C26H27N3O4S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.17
• IUPAC Name: (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
• SMILES: COc1ccccc1[C@@H]1[C@H](C(=O)Nc2nc(C)c(C(C)=O)s2)CCC(=O)N1c1ccc(C)cc1
• InChI: InChI=1S/C26H27N3O4S/c1-15-9-11-18(12-10-15)29-22(31)14-13-20(23(29)19-7-5-6-8-21(19)33-4)25(32)28-26-27-16(2)24(34-26)17(3)30/h5-12,20,23H,13-14H2,1-4H3,(H,27,28,32)/t20-,23-/m1/s1
• InChIKey: WELGVMKAKHKCMO-NFBKMPQASA-N
• XLogP: 5.09
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?

The IUPAC name of (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 26011864) is (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

What is the SMILES notation for (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?

The canonical SMILES for (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is COc1ccccc1[C@@H]1[C@H](C(=O)Nc2nc(C)c(C(C)=O)s2)CCC(=O)N1c1ccc(C)cc1.

What is the InChIKey of (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?

The InChIKey is WELGVMKAKHKCMO-NFBKMPQASA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-15-9-11-18(12-10-15)29-22(31)14-13-20(23(29)19-7-5-6-8-21(19)33-4)25(32)28-26-27-16(2)24(34-26)17(3)30/h5-12,20,23H,13-14H2,1-4H3,(H,27,28,32)/t20-,23-/m1/s1.

What are the key properties of (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?

(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26011864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).