3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide

C15H20FN3O2 — CID 166082493

IUPAC3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
SMILESO=C(NC1CCOC1)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C15H20FN3O2/c16-13-9-11(15(20)18-12-3-8-21-10-12)1-2-14(13)19-6-4-17-5-7-19/h1-2,9,12,17H,3-8,10H2,(H,18,20)
InChIKeyWHUOGYRCECNTGK-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.75
Rot. Bonds3

About 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide

3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide (PubChem CID 166082493) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
PubChem CID166082493
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
SMILESO=C(NC1CCOC1)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C15H20FN3O2/c16-13-9-11(15(20)18-12-3-8-21-10-12)1-2-14(13)19-6-4-17-5-7-19/h1-2,9,12,17H,3-8,10H2,(H,18,20)
InChIKeyWHUOGYRCECNTGK-UHFFFAOYSA-N
XLogP0.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide (CID 166082493) is 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide is O=C(NC1CCOC1)c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is WHUOGYRCECNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-13-9-11(15(20)18-12-3-8-21-10-12)1-2-14(13)19-6-4-17-5-7-19/h1-2,9,12,17H,3-8,10H2,(H,18,20).
What are the key properties of 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide?
3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 166082493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).