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

C24H32N4O3S — CID 55374570

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

N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 55374570) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
• PubChem CID: 55374570
• Molecular Formula: C24H32N4O3S
• Molecular Weight: 456.61 g/mol
• Exact Mass: 456.22
• IUPAC Name: N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
• SMILES: O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCCCCCC2)c1
• InChI: InChI=1S/C24H32N4O3S/c29-21(17-20-22(30)26-24(32-20)28-14-7-4-8-15-28)25-19-11-9-10-18(16-19)23(31)27-12-5-2-1-3-6-13-27/h9-11,16,20H,1-8,12-15,17H2,(H,25,29)
• InChIKey: OSZFTMKKZQIPHB-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.61
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 55374570) is N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

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

The canonical SMILES for N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCCCCCC2)c1.

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

The InChIKey is OSZFTMKKZQIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c29-21(17-20-22(30)26-24(32-20)28-14-7-4-8-15-28)25-19-11-9-10-18(16-19)23(31)27-12-5-2-1-3-6-13-27/h9-11,16,20H,1-8,12-15,17H2,(H,25,29).

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

N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 456.61 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 55374570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).