1-ethyl-4-phenylpiperidine-2,6-dione

C13H15NO2 — CID 3043002

IUPAC1-ethyl-4-phenylpiperidine-2,6-dione
SMILESCCN1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C13H15NO2/c1-2-14-12(15)8-11(9-13(14)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVOTZZFNXSKGFNX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.94
Rot. Bonds2

About 1-ethyl-4-phenylpiperidine-2,6-dione

1-ethyl-4-phenylpiperidine-2,6-dione (PubChem CID 3043002) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-ethyl-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-ethyl-4-phenylpiperidine-2,6-dione
PubChem CID3043002
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-ethyl-4-phenylpiperidine-2,6-dione
SMILESCCN1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C13H15NO2/c1-2-14-12(15)8-11(9-13(14)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVOTZZFNXSKGFNX-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 65996
AI3-37157
CID 760213
1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81873
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CID 897567
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CID 299608
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CID 3328378
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenylpiperidine-2,6-dione?
The IUPAC name of 1-ethyl-4-phenylpiperidine-2,6-dione (CID 3043002) is 1-ethyl-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-ethyl-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-ethyl-4-phenylpiperidine-2,6-dione is CCN1C(=O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 1-ethyl-4-phenylpiperidine-2,6-dione?
The InChIKey is VOTZZFNXSKGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-14-12(15)8-11(9-13(14)16)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 1-ethyl-4-phenylpiperidine-2,6-dione?
1-ethyl-4-phenylpiperidine-2,6-dione has a molecular weight of 217.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 3043002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).