4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one

C19H23FN2O2 — CID 591574

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C19H23FN2O2/c20-15-4-6-16(7-5-15)21-10-12-22(13-11-21)17-14-18(23)24-19(17)8-2-1-3-9-19/h4-7,14H,1-3,8-13H2
InChIKeyVIAGGLWBKJGJNI-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.09
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one

4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 591574) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID591574
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C19H23FN2O2/c20-15-4-6-16(7-5-15)21-10-12-22(13-11-21)17-14-18(23)24-19(17)8-2-1-3-9-19/h4-7,14H,1-3,8-13H2
InChIKeyVIAGGLWBKJGJNI-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one (CID 591574) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is VIAGGLWBKJGJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-15-4-6-16(7-5-15)21-10-12-22(13-11-21)17-14-18(23)24-19(17)8-2-1-3-9-19/h4-7,14H,1-3,8-13H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 330.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 591574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).