ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate

C17H20FNO5 — CID 2338121

IUPACethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO5/c1-2-23-16(21)12-6-8-19(9-7-12)15(20)11-24-17(22)13-4-3-5-14(18)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyVZCGGVFCMMDEJA-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.78
Rot. Bonds5

About ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 2338121) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID2338121
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Nameethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO5/c1-2-23-16(21)12-6-8-19(9-7-12)15(20)11-24-17(22)13-4-3-5-14(18)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyVZCGGVFCMMDEJA-UHFFFAOYSA-N
XLogP1.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528
1-Methylpiperidin-4-yl 3-fluorobenzoate
CID 714836
(2-Morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
CID 2347986
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 2433412
[2-(Azepan-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2434321
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
3-Fluoro-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2908677
2-Fluoro-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2912317
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
CID 4073358
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 4550282

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate (CID 2338121) is ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is VZCGGVFCMMDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO5/c1-2-23-16(21)12-6-8-19(9-7-12)15(20)11-24-17(22)13-4-3-5-14(18)10-13/h3-5,10,12H,2,6-9,11H2,1H3.
What are the key properties of ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2338121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).