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

C8H15N3O2 — CID 19071096

IUPAC3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CN1CCNCC1
InChIInChI=1S/C8H15N3O2/c12-8-11(5-6-13-8)7-10-3-1-9-2-4-10/h9H,1-7H2
InChIKeyVLOZFUCTUDOGPK-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.70
Rot. Bonds2

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

3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 19071096) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID19071096
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CN1CCNCC1
InChIInChI=1S/C8H15N3O2/c12-8-11(5-6-13-8)7-10-3-1-9-2-4-10/h9H,1-7H2
InChIKeyVLOZFUCTUDOGPK-UHFFFAOYSA-N
XLogP-0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 19071096) is 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CN1CCNCC1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is VLOZFUCTUDOGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-8-11(5-6-13-8)7-10-3-1-9-2-4-10/h9H,1-7H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one?
3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 185.23 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19071096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).