N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H32FN9O4 — CID 68941235

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

N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68941235) has the molecular formula C24H32FN9O4 and a molecular weight of 529.58 g/mol. Its IUPAC name is N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68941235
• Molecular Formula: C24H32FN9O4
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.26
• IUPAC Name: N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CCC(n4nnc(N5CCN(C(C)=O)CC5)n4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H32FN9O4/c1-16(35)26-14-20-15-33(24(37)38-20)19-3-4-22(21(25)13-19)31-7-5-18(6-8-31)34-28-23(27-29-34)32-11-9-30(10-12-32)17(2)36/h3-4,13,18,20H,5-12,14-15H2,1-2H3,(H,26,35)
• InChIKey: AESDCZSCUXPFPC-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 129.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.58
LogP ≤ 5	0.78
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-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68941235) is N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC(n4nnc(N5CCN(C(C)=O)CC5)n4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is AESDCZSCUXPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN9O4/c1-16(35)26-14-20-15-33(24(37)38-20)19-3-4-22(21(25)13-19)31-7-5-18(6-8-31)34-28-23(27-29-34)32-11-9-30(10-12-32)17(2)36/h3-4,13,18,20H,5-12,14-15H2,1-2H3,(H,26,35).

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

N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 529.58 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[4-[5-(4-acetylpiperazin-1-yl)tetrazol-2-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68941235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).