1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one

C19H23F2N3O3 — CID 45245861

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45245861) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
• PubChem CID: 45245861
• Molecular Formula: C19H23F2N3O3
• Molecular Weight: 379.41 g/mol
• Exact Mass: 379.17
• IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
• SMILES: Cc1cc(CN(C)CC2(O)CCCN(Cc3cccc(F)c3F)C2=O)on1
• InChI: InChI=1S/C19H23F2N3O3/c1-13-9-15(27-22-13)11-23(2)12-19(26)7-4-8-24(18(19)25)10-14-5-3-6-16(20)17(14)21/h3,5-6,9,26H,4,7-8,10-12H2,1-2H3
• InChIKey: SBSACLWZRMJZCQ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 69.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.41
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?

The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one (CID 45245861) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one.

What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?

The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one is Cc1cc(CN(C)CC2(O)CCCN(Cc3cccc(F)c3F)C2=O)on1.

What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?

The InChIKey is SBSACLWZRMJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-13-9-15(27-22-13)11-23(2)12-19(26)7-4-8-24(18(19)25)10-14-5-3-6-16(20)17(14)21/h3,5-6,9,26H,4,7-8,10-12H2,1-2H3.

What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 379.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45245861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).