4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C22H29N3O4S — CID 24790117

About 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 24790117) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
• PubChem CID: 24790117
• Molecular Formula: C22H29N3O4S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.19
• IUPAC Name: 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
• SMILES: COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)CC1
• InChI: InChI=1S/C22H29N3O4S/c1-15(2)22-24-17(14-30-22)12-23-21(27)16-4-6-18(7-5-16)29-19-8-10-25(11-9-19)20(26)13-28-3/h4-7,14-15,19H,8-13H2,1-3H3,(H,23,27)
• InChIKey: RTYWRUJIZZKVQZ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?

The IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 24790117) is 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

What is the SMILES notation for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?

The canonical SMILES for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)CC1.

What is the InChIKey of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?

The InChIKey is RTYWRUJIZZKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)22-24-17(14-30-22)12-23-21(27)16-4-6-18(7-5-16)29-19-8-10-25(11-9-19)20(26)13-28-3/h4-7,14-15,19H,8-13H2,1-3H3,(H,23,27).

What are the key properties of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?

4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24790117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).