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

C23H25NO5 — CID 4205254

IUPACethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H25NO5/c1-2-28-23(27)19-12-14-24(15-13-19)21(25)16-29-20-10-8-18(9-11-20)22(26)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3
InChIKeyGJKIBZIBHZAGFL-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.10
Rot. Bonds7

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

ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 4205254) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID4205254
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nameethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H25NO5/c1-2-28-23(27)19-12-14-24(15-13-19)21(25)16-29-20-10-8-18(9-11-20)22(26)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3
InChIKeyGJKIBZIBHZAGFL-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate (CID 4205254) is ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is GJKIBZIBHZAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-2-28-23(27)19-12-14-24(15-13-19)21(25)16-29-20-10-8-18(9-11-20)22(26)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3.
What are the key properties of ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-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-4-carboxylate is sourced from PubChem (CID 4205254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).