ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate

C16H20FNO4 — CID 110761172

IUPACethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H20FNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyBWKDPKMTINAPHS-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.25
Rot. Bonds4

About ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate

ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 110761172) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID110761172
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nameethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H20FNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyBWKDPKMTINAPHS-UHFFFAOYSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate (CID 110761172) is ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(F)ccc2OC)CC1.
What is the InChIKey of ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is BWKDPKMTINAPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110761172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).