1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone

C23H31N3O3 — CID 124946373

About 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone

1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 124946373) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
• PubChem CID: 124946373
• Molecular Formula: C23H31N3O3
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.24
• IUPAC Name: 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCC3)C2)o1
• InChI: InChI=1S/C23H31N3O3/c1-28-21-10-4-3-8-18(21)14-20-15-24-23(29-20)19-9-7-13-26(16-19)22(27)17-25-11-5-2-6-12-25/h3-4,8,10,15,19H,2,5-7,9,11-14,16-17H2,1H3/t19-/m1/s1
• InChIKey: BXSSOWZITSUIRY-LJQANCHMSA-N
• XLogP: 3.47
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone?

The IUPAC name of 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone (CID 124946373) is 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone is COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCC3)C2)o1.

What is the InChIKey of 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone?

The InChIKey is BXSSOWZITSUIRY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-21-10-4-3-8-18(21)14-20-15-24-23(29-20)19-9-7-13-26(16-19)22(27)17-25-11-5-2-6-12-25/h3-4,8,10,15,19H,2,5-7,9,11-14,16-17H2,1H3/t19-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone?

1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 397.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 124946373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).