methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

C20H36N4O4 — CID 19071015

About methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071015) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
• PubChem CID: 19071015
• Molecular Formula: C20H36N4O4
• Molecular Weight: 396.53 g/mol
• Exact Mass: 396.27
• IUPAC Name: methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
• SMILES: COC(=O)CN1CCN(CC2CN(CCCC3CCN(C)CC3)C(=O)O2)CC1
• InChI: InChI=1S/C20H36N4O4/c1-21-8-5-17(6-9-21)4-3-7-24-15-18(28-20(24)26)14-22-10-12-23(13-11-22)16-19(25)27-2/h17-18H,3-16H2,1-2H3
• InChIKey: CJHTUCQUVNTUQI-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 65.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.53
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The IUPAC name of methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071015) is methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

What is the SMILES notation for methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The canonical SMILES for methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCCC3CCN(C)CC3)C(=O)O2)CC1.

What is the InChIKey of methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The InChIKey is CJHTUCQUVNTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-21-8-5-17(6-9-21)4-3-7-24-15-18(28-20(24)26)14-22-10-12-23(13-11-22)16-19(25)27-2/h17-18H,3-16H2,1-2H3.

What are the key properties of methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 396.53 g/mol, XLogP of 0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).