2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

C19H25N5O3 — CID 146134518

About 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 146134518) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
• PubChem CID: 146134518
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
• SMILES: O=C(O)c1coc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)n1
• InChI: InChI=1S/C19H25N5O3/c25-18(26)16-14-27-19(21-16)24-7-3-4-15(13-24)12-22-8-10-23(11-9-22)17-5-1-2-6-20-17/h1-2,5-6,14-15H,3-4,7-13H2,(H,25,26)
• InChIKey: NBSDXBWYNRZTSJ-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 85.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?

The IUPAC name of 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 146134518) is 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

What is the SMILES notation for 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?

The canonical SMILES for 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)n1.

What is the InChIKey of 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?

The InChIKey is NBSDXBWYNRZTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18(26)16-14-27-19(21-16)24-7-3-4-15(13-24)12-22-8-10-23(11-9-22)17-5-1-2-6-20-17/h1-2,5-6,14-15H,3-4,7-13H2,(H,25,26).

What are the key properties of 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?

2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 146134518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).