ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate

C20H21NO3 — CID 14533084

IUPACethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12,16,18-19,21H,2,13H2,1H3
InChIKeyWVIOXDTZTOXYGQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.21
Rot. Bonds4

About ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate

ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate (PubChem CID 14533084) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
PubChem CID14533084
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12,16,18-19,21H,2,13H2,1H3
InChIKeyWVIOXDTZTOXYGQ-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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dimethyl (2S,6R)-4-oxo-2,6-diphenyl-1-prop-2-enylpiperidine-3,5-dicarboxylate
CID 24774528
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methyl (2S,3S)-6-oxo-2-phenylpiperidine-3-carboxylate
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Ethyl 4-oxo-1-benzylpiperidine-3-carboxylate, chloride
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate (CID 14533084) is ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate is CCOC(=O)C1C(=O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate?
The InChIKey is WVIOXDTZTOXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12,16,18-19,21H,2,13H2,1H3.
What are the key properties of ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate?
ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate is sourced from PubChem (CID 14533084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).