[(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

C22H25FN2O3 — CID 97184786

About [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

[(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 97184786) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 97184786
• Molecular Formula: C22H25FN2O3
• Molecular Weight: 384.45 g/mol
• Exact Mass: 384.18
• IUPAC Name: [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
• SMILES: COc1ccc(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F
• InChI: InChI=1S/C22H25FN2O3/c1-27-19-10-9-16(13-17(19)23)14-25-15-21(22(26)24-11-5-2-6-12-24)28-20-8-4-3-7-18(20)25/h3-4,7-10,13,21H,2,5-6,11-12,14-15H2,1H3/t21-/m1/s1
• InChIKey: NXJLPYIFNLZFDJ-OAQYLSRUSA-N
• XLogP: 3.61
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.45
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (CID 97184786) is [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is COc1ccc(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F.

What is the InChIKey of [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?

The InChIKey is NXJLPYIFNLZFDJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-27-19-10-9-16(13-17(19)23)14-25-15-21(22(26)24-11-5-2-6-12-24)28-20-8-4-3-7-18(20)25/h3-4,7-10,13,21H,2,5-6,11-12,14-15H2,1H3/t21-/m1/s1.

What are the key properties of [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?

[(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 384.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97184786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).