3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one

C9H17N3O2 — CID 22767881

IUPAC3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(N1CCNCC1)N1CCOC1=O
InChIInChI=1S/C9H17N3O2/c1-8(11-4-2-10-3-5-11)12-6-7-14-9(12)13/h8,10H,2-7H2,1H3
InChIKeyCJPLJWWMIALUBK-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.31
Rot. Bonds2

About 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one

3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one (PubChem CID 22767881) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one
PubChem CID22767881
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(N1CCNCC1)N1CCOC1=O
InChIInChI=1S/C9H17N3O2/c1-8(11-4-2-10-3-5-11)12-6-7-14-9(12)13/h8,10H,2-7H2,1H3
InChIKeyCJPLJWWMIALUBK-UHFFFAOYSA-N
XLogP-0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one (CID 22767881) is 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one is CC(N1CCNCC1)N1CCOC1=O.
What is the InChIKey of 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one?
The InChIKey is CJPLJWWMIALUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(11-4-2-10-3-5-11)12-6-7-14-9(12)13/h8,10H,2-7H2,1H3.
What are the key properties of 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one?
3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22767881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).