6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C22H23N3O3S — CID 89474891

About 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 89474891) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
• PubChem CID: 89474891
• Molecular Formula: C22H23N3O3S
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.15
• IUPAC Name: 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(CN2CCC(OC(c3ccccc3)c3nccs3)CC2)n1
• InChI: InChI=1S/C22H23N3O3S/c26-22(27)19-8-4-7-17(24-19)15-25-12-9-18(10-13-25)28-20(21-23-11-14-29-21)16-5-2-1-3-6-16/h1-8,11,14,18,20H,9-10,12-13,15H2,(H,26,27)
• InChIKey: JJAATBLKYRRNPL-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 75.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 89474891) is 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCC(OC(c3ccccc3)c3nccs3)CC2)n1.

What is the InChIKey of 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?

The InChIKey is JJAATBLKYRRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(27)19-8-4-7-17(24-19)15-25-12-9-18(10-13-25)28-20(21-23-11-14-29-21)16-5-2-1-3-6-16/h1-8,11,14,18,20H,9-10,12-13,15H2,(H,26,27).

What are the key properties of 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?

6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 409.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 89474891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).