1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C23H24N4O3S — CID 55856174

About 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55856174) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 55856174
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)CCOc2ccccc2)CC1
• InChI: InChI=1S/C23H24N4O3S/c28-21(10-14-30-19-6-2-1-3-7-19)27-12-8-17(9-13-27)22(29)26-23-25-20(16-31-23)18-5-4-11-24-15-18/h1-7,11,15-17H,8-10,12-14H2,(H,25,26,29)
• InChIKey: ALXWRPSGJIOCEM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55856174) is 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)CCOc2ccccc2)CC1.

What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is ALXWRPSGJIOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(10-14-30-19-6-2-1-3-7-19)27-12-8-17(9-13-27)22(29)26-23-25-20(16-31-23)18-5-4-11-24-15-18/h1-7,11,15-17H,8-10,12-14H2,(H,25,26,29).

What are the key properties of 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55856174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).