ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate

C16H20FNO3 — CID 43404272

IUPACethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO3/c1-2-21-16(20)13-6-8-18(9-7-13)15(19)11-12-4-3-5-14(17)10-12/h3-5,10,13H,2,6-9,11H2,1H3
InChIKeyJSLQITVEKZKFHC-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate (PubChem CID 43404272) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
PubChem CID43404272
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO3/c1-2-21-16(20)13-6-8-18(9-7-13)15(19)11-12-4-3-5-14(17)10-12/h3-5,10,13H,2,6-9,11H2,1H3
InChIKeyJSLQITVEKZKFHC-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046679
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate (CID 43404272) is ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is JSLQITVEKZKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-2-21-16(20)13-6-8-18(9-7-13)15(19)11-12-4-3-5-14(17)10-12/h3-5,10,13H,2,6-9,11H2,1H3.
What are the key properties of ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43404272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).