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

C14H15ClFNO3 — CID 80975676

IUPACmethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=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
InChIKeyXXJGZYFTUWJYAJ-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.65
Rot. Bonds2

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

methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (PubChem CID 80975676) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
PubChem CID80975676
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Namemethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=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
InChIKeyXXJGZYFTUWJYAJ-UHFFFAOYSA-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

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Related Compounds

methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
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 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (CID 80975676) is methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is XXJGZYFTUWJYAJ-UHFFFAOYSA-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.
What are the key properties of methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
methyl 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 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 80975676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).