(4-fluorophenyl) 3-oxopiperidine-1-carboxylate

C12H12FNO3 — CID 116819308

IUPAC(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)Oc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-9-3-5-11(6-4-9)17-12(16)14-7-1-2-10(15)8-14/h3-6H,1-2,7-8H2
InChIKeyLHMMNIBRDIZHOO-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.99
Rot. Bonds1

About (4-fluorophenyl) 3-oxopiperidine-1-carboxylate

(4-fluorophenyl) 3-oxopiperidine-1-carboxylate (PubChem CID 116819308) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (4-fluorophenyl) 3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
PubChem CID116819308
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)Oc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-9-3-5-11(6-4-9)17-12(16)14-7-1-2-10(15)8-14/h3-6H,1-2,7-8H2
InChIKeyLHMMNIBRDIZHOO-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819341
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
(3,4-dimethylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819331
(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819399
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819425
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate
CID 141448559
[4-(trifluoromethyl)phenyl] 3-[cyclobutyl-(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 25096223
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
[4-(trifluoromethyl)phenyl] 3-[bis(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 25096222

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-oxopiperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl) 3-oxopiperidine-1-carboxylate (CID 116819308) is (4-fluorophenyl) 3-oxopiperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 3-oxopiperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) 3-oxopiperidine-1-carboxylate is O=C1CCCN(C(=O)Oc2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl) 3-oxopiperidine-1-carboxylate?
The InChIKey is LHMMNIBRDIZHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-5-11(6-4-9)17-12(16)14-7-1-2-10(15)8-14/h3-6H,1-2,7-8H2.
What are the key properties of (4-fluorophenyl) 3-oxopiperidine-1-carboxylate?
(4-fluorophenyl) 3-oxopiperidine-1-carboxylate has a molecular weight of 237.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 116819308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).