N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H28FN3O6 — CID 22913043

About N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22913043) has the molecular formula C21H28FN3O6 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 22913043
• Molecular Formula: C21H28FN3O6
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.20
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CCC(C4(CO)OCCO4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H28FN3O6/c1-14(27)23-11-17-12-25(20(28)31-17)16-2-3-19(18(22)10-16)24-6-4-15(5-7-24)21(13-26)29-8-9-30-21/h2-3,10,15,17,26H,4-9,11-13H2,1H3,(H,23,27)
• InChIKey: GUXLVOCQRJDXQH-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 100.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22913043) is N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC(C4(CO)OCCO4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is GUXLVOCQRJDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O6/c1-14(27)23-11-17-12-25(20(28)31-17)16-2-3-19(18(22)10-16)24-6-4-15(5-7-24)21(13-26)29-8-9-30-21/h2-3,10,15,17,26H,4-9,11-13H2,1H3,(H,23,27).

What are the key properties of N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 437.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22913043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).