methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate

C24H45N5O4 — CID 19071034

About methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate

methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate (PubChem CID 19071034) has the molecular formula C24H45N5O4 and a molecular weight of 467.66 g/mol. Its IUPAC name is methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate.

Molecular Properties

• Compound Name: methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
• PubChem CID: 19071034
• Molecular Formula: C24H45N5O4
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.35
• IUPAC Name: methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
• SMILES: CCCN1CCN(CCCCN2CC(CN3CCN(CCCC(=O)OC)CC3)OC2=O)CC1
• InChI: InChI=1S/C24H45N5O4/c1-3-8-25-12-14-26(15-13-25)9-4-5-11-29-21-22(33-24(29)31)20-28-18-16-27(17-19-28)10-6-7-23(30)32-2/h22H,3-21H2,1-2H3
• InChIKey: OKEDNIOPCCITKV-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 68.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?

The IUPAC name of methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate (CID 19071034) is methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate.

What is the SMILES notation for methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?

The canonical SMILES for methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate is CCCN1CCN(CCCCN2CC(CN3CCN(CCCC(=O)OC)CC3)OC2=O)CC1.

What is the InChIKey of methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?

The InChIKey is OKEDNIOPCCITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N5O4/c1-3-8-25-12-14-26(15-13-25)9-4-5-11-29-21-22(33-24(29)31)20-28-18-16-27(17-19-28)10-6-7-23(30)32-2/h22H,3-21H2,1-2H3.

What are the key properties of methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?

methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate has a molecular weight of 467.66 g/mol, XLogP of 1.19, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 19071034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).