4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one

C14H19N3O2 — CID 82346278

IUPAC4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2cccc(N3CCNCC3)c21
InChIInChI=1S/C14H19N3O2/c1-2-17-13(18)10-19-12-5-3-4-11(14(12)17)16-8-6-15-7-9-16/h3-5,15H,2,6-10H2,1H3
InChIKeyWIOLFJFARJZLAG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.84
Rot. Bonds2

About 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one

4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one (PubChem CID 82346278) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
PubChem CID82346278
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2cccc(N3CCNCC3)c21
InChIInChI=1S/C14H19N3O2/c1-2-17-13(18)10-19-12-5-3-4-11(14(12)17)16-8-6-15-7-9-16/h3-5,15H,2,6-10H2,1H3
InChIKeyWIOLFJFARJZLAG-UHFFFAOYSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one (CID 82346278) is 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one is CCN1C(=O)COc2cccc(N3CCNCC3)c21.
What is the InChIKey of 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one?
The InChIKey is WIOLFJFARJZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-17-13(18)10-19-12-5-3-4-11(14(12)17)16-8-6-15-7-9-16/h3-5,15H,2,6-10H2,1H3.
What are the key properties of 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one?
4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-piperazin-1-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82346278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).