ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate

C17H23NO3 — CID 91526545

IUPACethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)11-14-7-9-18(10-8-14)16-6-4-5-15(12-16)13(2)19/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyZUWTVSSWLGQGHN-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.06
Rot. Bonds5

About ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate

ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate (PubChem CID 91526545) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
PubChem CID91526545
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)11-14-7-9-18(10-8-14)16-6-4-5-15(12-16)13(2)19/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyZUWTVSSWLGQGHN-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-3-yl]acetate
CID 83982086
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
ethyl 2-[1-[4-(dibutylamino)phenyl]piperidin-4-yl]acetate
CID 167031186
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
ethyl 3-[4-(1-phenylethyl)piperidin-1-yl]benzoate
CID 70200665
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
CID 117020720
ethyl 2-[1-(4-bromo-2-formylphenyl)pyrrolidin-3-yl]acetate
CID 23091112
1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 70542722
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate (CID 91526545) is ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(c2cccc(C(C)=O)c2)CC1.
What is the InChIKey of ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate?
The InChIKey is ZUWTVSSWLGQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-17(20)11-14-7-9-18(10-8-14)16-6-4-5-15(12-16)13(2)19/h4-6,12,14H,3,7-11H2,1-2H3.
What are the key properties of ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate?
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate has a molecular weight of 289.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate is sourced from PubChem (CID 91526545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).