methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

C14H15ClFNO3 — CID 51076036

IUPACmethyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)12-4-2-3-7-17(12)13(18)10-8-9(15)5-6-11(10)16/h5-6,8,12H,2-4,7H2,1H3
InChIKeyWRANPOQCMMANSZ-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.65
Rot. Bonds2

About methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (PubChem CID 51076036) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
PubChem CID51076036
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Namemethyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)12-4-2-3-7-17(12)13(18)10-8-9(15)5-6-11(10)16/h5-6,8,12H,2-4,7H2,1H3
InChIKeyWRANPOQCMMANSZ-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-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl 1-(3,5-dichloro-2-iodobenzoyl)pyrrolidine-2-carboxylate
CID 43409924
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (CID 51076036) is methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is WRANPOQCMMANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-20-14(19)12-4-2-3-7-17(12)13(18)10-8-9(15)5-6-11(10)16/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
methyl 1-(5-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-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 51076036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).