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

C23H32FN9O3 — CID 68936740

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

N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68936740) has the molecular formula C23H32FN9O3 and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-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-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68936740
• Molecular Formula: C23H32FN9O3
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.26
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CCC(n4nnc(N5CCN(C)CC5)n4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H32FN9O3/c1-16(34)25-14-19-15-32(23(35)36-19)18-3-4-21(20(24)13-18)30-7-5-17(6-8-30)33-27-22(26-28-33)31-11-9-29(2)10-12-31/h3-4,13,17,19H,5-12,14-15H2,1-2H3,(H,25,34)
• InChIKey: IKZQUYKOHSSTSI-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 111.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[5-(4-methylpiperazin-1-yl)tetrazol-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-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68936740) is N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-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-[5-(4-methylpiperazin-1-yl)tetrazol-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-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC(n4nnc(N5CCN(C)CC5)n4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is IKZQUYKOHSSTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN9O3/c1-16(34)25-14-19-15-32(23(35)36-19)18-3-4-21(20(24)13-18)30-7-5-17(6-8-30)33-27-22(26-28-33)31-11-9-29(2)10-12-31/h3-4,13,17,19H,5-12,14-15H2,1-2H3,(H,25,34).

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

N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 501.57 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68936740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).