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

C23H25NO5 — CID 25163543

IUPACethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C23H25NO5/c1-2-28-23(27)19-9-6-14-24(15-19)21(25)16-29-20-12-10-18(11-13-20)22(26)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3
InChIKeyTXKWIYYFENSRHH-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.10
Rot. Bonds7

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

ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 25163543) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
PubChem CID25163543
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nameethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C23H25NO5/c1-2-28-23(27)19-9-6-14-24(15-19)21(25)16-29-20-12-10-18(11-13-20)22(26)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3
InChIKeyTXKWIYYFENSRHH-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368
ethyl (3R)-1-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]acetyl]piperidine-3-carboxylate
CID 40933134
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
ethyl 1-[2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046771
ethyl (3S)-1-[2-(4-cyanobenzoyl)oxyacetyl]piperidine-3-carboxylate
CID 2338003
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate (CID 25163543) is ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1.
What is the InChIKey of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is TXKWIYYFENSRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-2-28-23(27)19-9-6-14-24(15-19)21(25)16-29-20-12-10-18(11-13-20)22(26)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3.
What are the key properties of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 25163543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).