methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate

C13H14FNO3 — CID 11218932

IUPACmethyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate
SMILESCOC(=O)C1CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyKKTMSKGHUHUGSY-VUWPPUDQSA-N
MW251.26 g/mol
LogP1.22
Rot. Bonds2

About methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate

methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 11218932) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate
PubChem CID11218932
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Namemethyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate
SMILESCOC(=O)C1CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyKKTMSKGHUHUGSY-VUWPPUDQSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate (CID 11218932) is methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate is COC(=O)C1CNC(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is KKTMSKGHUHUGSY-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)/t10-,11?/m0/s1.
What are the key properties of methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate?
methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 11218932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).