3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione

C16H19NO2 — CID 3065048

IUPAC3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)CCC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-3-12-17-14(18)10-11-16(4-2,15(17)19)13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3
InChIKeyAWINRQPVVMUJOV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.67
Rot. Bonds4

About 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione

3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione (PubChem CID 3065048) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione
PubChem CID3065048
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)CCC(CC)(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-3-12-17-14(18)10-11-16(4-2,15(17)19)13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3
InChIKeyAWINRQPVVMUJOV-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione (CID 3065048) is 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione is C=CCN1C(=O)CCC(CC)(c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione?
The InChIKey is AWINRQPVVMUJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-12-17-14(18)10-11-16(4-2,15(17)19)13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3.
What are the key properties of 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione?
3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione has a molecular weight of 257.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione is sourced from PubChem (CID 3065048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).