[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate

C16H20FNO3 — CID 174527492

IUPAC[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(=O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO3/c1-16(2,3)15(20)21-18-9-8-14(19)13(10-18)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyPQSSUAIIOQSABI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.69
Rot. Bonds2

About [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate

[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174527492) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174527492
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(=O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO3/c1-16(2,3)15(20)21-18-9-8-14(19)13(10-18)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKeyPQSSUAIIOQSABI-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate (CID 174527492) is [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(=O)C(c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is PQSSUAIIOQSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(2,3)15(20)21-18-9-8-14(19)13(10-18)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3.
What are the key properties of [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate?
[3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 293.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-oxopiperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174527492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).