methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate

C14H15F2NO3 — CID 115280018

IUPACmethyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3
InChIKeyJZZMNNAPPFGMBG-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.13
Rot. Bonds2

About methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate

methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate (PubChem CID 115280018) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
PubChem CID115280018
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namemethyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3
InChIKeyJZZMNNAPPFGMBG-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate
CID 58290712
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3-amino-2,5-difluorobenzoyl)piperidine-2-carboxylate
CID 107120672
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate (CID 115280018) is methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is JZZMNNAPPFGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3.
What are the key properties of methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate?
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate has a molecular weight of 283.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).