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

C20H37N5O4 — CID 19071054

IUPACmethyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCCN1CCN(CCCN2CC(CN3CCN(CC(=O)OC)CC3)OC2=O)CC1
InChIInChI=1S/C20H37N5O4/c1-3-21-7-9-22(10-8-21)5-4-6-25-16-18(29-20(25)27)15-23-11-13-24(14-12-23)17-19(26)28-2/h18H,3-17H2,1-2H3
InChIKeyCGUMBZNZNQFZAL-UHFFFAOYSA-N
MW411.55 g/mol
LogP-0.37
Rot. Bonds9

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

methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071054) has the molecular formula C20H37N5O4 and a molecular weight of 411.55 g/mol. Its IUPAC name is methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071054
Molecular FormulaC20H37N5O4
Molecular Weight411.55 g/mol
Exact Mass411.28
IUPAC Namemethyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCCN1CCN(CCCN2CC(CN3CCN(CC(=O)OC)CC3)OC2=O)CC1
InChIInChI=1S/C20H37N5O4/c1-3-21-7-9-22(10-8-21)5-4-6-25-16-18(29-20(25)27)15-23-11-13-24(14-12-23)17-19(26)28-2/h18H,3-17H2,1-2H3
InChIKeyCGUMBZNZNQFZAL-UHFFFAOYSA-N
XLogP-0.37
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071054) is methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-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-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is CCN1CCN(CCCN2CC(CN3CCN(CC(=O)OC)CC3)OC2=O)CC1.
What is the InChIKey of methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is CGUMBZNZNQFZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O4/c1-3-21-7-9-22(10-8-21)5-4-6-25-16-18(29-20(25)27)15-23-11-13-24(14-12-23)17-19(26)28-2/h18H,3-17H2,1-2H3.
What are the key properties of methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 411.55 g/mol, XLogP of -0.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).