ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate

C17H22FNO4 — CID 70735433

IUPACethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H22FNO4/c1-2-22-17(21)11-14-5-3-4-10-19(14)16(20)12-23-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyUFMKHUAQZYMOBD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.54
Rot. Bonds6

About ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate

ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate (PubChem CID 70735433) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
PubChem CID70735433
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Nameethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H22FNO4/c1-2-22-17(21)11-14-5-3-4-10-19(14)16(20)12-23-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyUFMKHUAQZYMOBD-UHFFFAOYSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
1-[2-(aminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119468531
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366
1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one
CID 79540089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate (CID 70735433) is ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)COc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate?
The InChIKey is UFMKHUAQZYMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-2-22-17(21)11-14-5-3-4-10-19(14)16(20)12-23-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate?
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate has a molecular weight of 323.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate is sourced from PubChem (CID 70735433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).