4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

C14H17FN2O3 — CID 63606818

IUPAC4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(20)16-5-6-17(14)8-12(19)10-7-9(15)3-4-11(10)18/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyQKAHNFZCWPAJJO-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.92
Rot. Bonds3

About 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606818) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606818
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(20)16-5-6-17(14)8-12(19)10-7-9(15)3-4-11(10)18/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyQKAHNFZCWPAJJO-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (CID 63606818) is 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CC(=O)c1cc(F)ccc1O.
What is the InChIKey of 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is QKAHNFZCWPAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2)13(20)16-5-6-17(14)8-12(19)10-7-9(15)3-4-11(10)18/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).