3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione

C15H19NO2 — CID 79321359

IUPAC3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1C(C)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-12-13(9-14(17)16-15(12)18)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyQEMGZNGQUWMAHF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.48
Rot. Bonds3

About 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione

3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione (PubChem CID 79321359) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
PubChem CID79321359
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1C(C)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-12-13(9-14(17)16-15(12)18)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyQEMGZNGQUWMAHF-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79317878
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67749051
4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-(1-phenylethyl)cyclopentane-1,3-dione
CID 58697779
4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
CID 79977934
3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
CID 79320869
5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one
CID 66109160
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
(3R,4S)-4-(benzenesulfinyl)-1-benzhydryl-3-ethylazetidin-2-one
CID 139725927
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione?
The IUPAC name of 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione (CID 79321359) is 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione is CCC1C(=O)NC(=O)CC1C(C)c1ccccc1.
What is the InChIKey of 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione?
The InChIKey is QEMGZNGQUWMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12-13(9-14(17)16-15(12)18)10(2)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione?
3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione is sourced from PubChem (CID 79321359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).