ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate

C16H20FNO3 — CID 110209267

IUPACethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H20FNO3/c1-3-21-16(20)12-6-8-18(9-7-12)15(19)14-5-4-13(17)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyMLTWMZRWGBTMRU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.55
Rot. Bonds3

About ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate

ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 110209267) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID110209267
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H20FNO3/c1-3-21-16(20)12-6-8-18(9-7-12)15(19)14-5-4-13(17)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyMLTWMZRWGBTMRU-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
butyl 1-(2,5-difluorobenzoyl)piperidine-4-carboxylate
CID 91717479

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate (CID 110209267) is ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is MLTWMZRWGBTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-21-16(20)12-6-8-18(9-7-12)15(19)14-5-4-13(17)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate?
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110209267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).