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

C19H35N5O4 — CID 19071007

IUPAC2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCCN1CCN(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C19H35N5O4/c1-2-20-6-8-21(9-7-20)4-3-5-24-15-17(28-19(24)27)14-22-10-12-23(13-11-22)16-18(25)26/h17H,2-16H2,1H3,(H,25,26)
InChIKeyVOKQBUMYZZKOJK-UHFFFAOYSA-N
MW397.52 g/mol
LogP-0.46
Rot. Bonds9

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

2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 19071007) has the molecular formula C19H35N5O4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID19071007
Molecular FormulaC19H35N5O4
Molecular Weight397.52 g/mol
Exact Mass397.27
IUPAC Name2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCCN1CCN(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C19H35N5O4/c1-2-20-6-8-21(9-7-20)4-3-5-24-15-17(28-19(24)27)14-22-10-12-23(13-11-22)16-18(25)26/h17H,2-16H2,1H3,(H,25,26)
InChIKeyVOKQBUMYZZKOJK-UHFFFAOYSA-N
XLogP-0.46
TPSA79.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (CID 19071007) is 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is CCN1CCN(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1.
What is the InChIKey of 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is VOKQBUMYZZKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O4/c1-2-20-6-8-21(9-7-20)4-3-5-24-15-17(28-19(24)27)14-22-10-12-23(13-11-22)16-18(25)26/h17H,2-16H2,1H3,(H,25,26).
What are the key properties of 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 397.52 g/mol, XLogP of -0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 19071007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).