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

C21H39N5O4 — CID 19071097

IUPACmethyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
SMILESCCN1CCN(CCCN2CC(CN3CCN(CCC(=O)OC)CC3)OC2=O)CC1
InChIInChI=1S/C21H39N5O4/c1-3-22-9-11-23(12-10-22)6-4-7-26-18-19(30-21(26)28)17-25-15-13-24(14-16-25)8-5-20(27)29-2/h19H,3-18H2,1-2H3
InChIKeyMMHCJWWYHQVYTC-UHFFFAOYSA-N
MW425.57 g/mol
LogP0.02
Rot. Bonds10

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

methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate (PubChem CID 19071097) has the molecular formula C21H39N5O4 and a molecular weight of 425.57 g/mol. Its IUPAC name is methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
PubChem CID19071097
Molecular FormulaC21H39N5O4
Molecular Weight425.57 g/mol
Exact Mass425.30
IUPAC Namemethyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
SMILESCCN1CCN(CCCN2CC(CN3CCN(CCC(=O)OC)CC3)OC2=O)CC1
InChIInChI=1S/C21H39N5O4/c1-3-22-9-11-23(12-10-22)6-4-7-26-18-19(30-21(26)28)17-25-15-13-24(14-16-25)8-5-20(27)29-2/h19H,3-18H2,1-2H3
InChIKeyMMHCJWWYHQVYTC-UHFFFAOYSA-N
XLogP0.02
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate (CID 19071097) is methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate is CCN1CCN(CCCN2CC(CN3CCN(CCC(=O)OC)CC3)OC2=O)CC1.
What is the InChIKey of methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The InChIKey is MMHCJWWYHQVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O4/c1-3-22-9-11-23(12-10-22)6-4-7-26-18-19(30-21(26)28)17-25-15-13-24(14-16-25)8-5-20(27)29-2/h19H,3-18H2,1-2H3.
What are the key properties of methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate has a molecular weight of 425.57 g/mol, XLogP of 0.02, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 19071097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).