methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

C14H15ClFNO3 — CID 81002507

IUPACmethyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3/t11-/m1/s1
InChIKeyXXJGZYFTUWJYAJ-LLVKDONJSA-N
MW299.73 g/mol
LogP2.65
Rot. Bonds2

About methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (PubChem CID 81002507) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
PubChem CID81002507
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Namemethyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3/t11-/m1/s1
InChIKeyXXJGZYFTUWJYAJ-LLVKDONJSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
butyl 1-(3-chloro-2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91736136
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
methyl 1-(3-amino-2,5-difluorobenzoyl)piperidine-2-carboxylate
CID 107120672
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (CID 81002507) is methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is XXJGZYFTUWJYAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)9-5-4-6-10(15)12(9)16/h4-6,11H,2-3,7-8H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate has a molecular weight of 299.73 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 81002507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).