N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

C23H30N4O4S — CID 55984821

About N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 55984821) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
• PubChem CID: 55984821
• Molecular Formula: C23H30N4O4S
• Molecular Weight: 458.58 g/mol
• Exact Mass: 458.20
• IUPAC Name: N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
• SMILES: CC1(C)COCCN1C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
• InChI: InChI=1S/C23H30N4O4S/c1-23(2)15-31-13-12-27(23)21(30)16-6-8-17(9-7-16)24-19(28)14-18-20(29)25-22(32-18)26-10-4-3-5-11-26/h6-9,18H,3-5,10-15H2,1-2H3,(H,24,28)
• InChIKey: DKTRXDLSBDSSLG-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 91.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.58
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?

The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 55984821) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?

The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is CC1(C)COCCN1C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1.

What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?

The InChIKey is DKTRXDLSBDSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-23(2)15-31-13-12-27(23)21(30)16-6-8-17(9-7-16)24-19(28)14-18-20(29)25-22(32-18)26-10-4-3-5-11-26/h6-9,18H,3-5,10-15H2,1-2H3,(H,24,28).

What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 458.58 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 55984821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).