4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

C22H21ClN4O3S — CID 59698874

About 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 59698874) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 59698874
• Molecular Formula: C22H21ClN4O3S
• Molecular Weight: 456.96 g/mol
• Exact Mass: 456.10
• IUPAC Name: 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCC(Oc3ccccn3)CC2)cs1)c1ccc(Cl)cc1
• InChI: InChI=1S/C22H21ClN4O3S/c23-16-6-4-15(5-7-16)21(29)26-22-25-17(14-31-22)13-20(28)27-11-8-18(9-12-27)30-19-3-1-2-10-24-19/h1-7,10,14,18H,8-9,11-13H2,(H,25,26,29)
• InChIKey: QGMVRORQIIPZCS-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.96
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (CID 59698874) is 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCC(Oc3ccccn3)CC2)cs1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is QGMVRORQIIPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c23-16-6-4-15(5-7-16)21(29)26-22-25-17(14-31-22)13-20(28)27-11-8-18(9-12-27)30-19-3-1-2-10-24-19/h1-7,10,14,18H,8-9,11-13H2,(H,25,26,29).

What are the key properties of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?

4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 456.96 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 59698874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).