ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate

C21H23NO4 — CID 2905319

IUPACethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c1-2-25-21(24)16-9-8-14-22(15-16)20(23)18-12-6-7-13-19(18)26-17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3
InChIKeyDGIGGHKLBUSYCV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.89
Rot. Bonds5

About ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate

ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate (PubChem CID 2905319) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate
PubChem CID2905319
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nameethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c1-2-25-21(24)16-9-8-14-22(15-16)20(23)18-12-6-7-13-19(18)26-17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3
InChIKeyDGIGGHKLBUSYCV-UHFFFAOYSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate (CID 2905319) is ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate?
The InChIKey is DGIGGHKLBUSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-25-21(24)16-9-8-14-22(15-16)20(23)18-12-6-7-13-19(18)26-17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3.
What are the key properties of ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate?
ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2905319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).