methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate

C20H21NO4 — CID 884056

IUPACmethyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H21NO4/c1-24-20(23)15-11-13-21(14-12-15)19(22)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyPCMNEKVGXWSCBS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.50
Rot. Bonds4

About methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate

methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate (PubChem CID 884056) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate
PubChem CID884056
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H21NO4/c1-24-20(23)15-11-13-21(14-12-15)19(22)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyPCMNEKVGXWSCBS-UHFFFAOYSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate (CID 884056) is methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is PCMNEKVGXWSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-20(23)15-11-13-21(14-12-15)19(22)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate?
methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).