1-amino-3-ethyl-3-phenylpiperidine-2,6-dione

C13H16N2O2 — CID 13052894

IUPAC1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CCC(=O)N(N)C1=O
InChIInChI=1S/C13H16N2O2/c1-2-13(10-6-4-3-5-7-10)9-8-11(16)15(14)12(13)17/h3-7H,2,8-9,14H2,1H3
InChIKeyJDQVSLGOXITLIC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.36
Rot. Bonds2

About 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione

1-amino-3-ethyl-3-phenylpiperidine-2,6-dione (PubChem CID 13052894) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
PubChem CID13052894
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CCC(=O)N(N)C1=O
InChIInChI=1S/C13H16N2O2/c1-2-13(10-6-4-3-5-7-10)9-8-11(16)15(14)12(13)17/h3-7H,2,8-9,14H2,1H3
InChIKeyJDQVSLGOXITLIC-UHFFFAOYSA-N
XLogP1.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[2-(3-ethyl-2,6-dioxo-3-phenylpiperidin-1-yl)ethyl]-methylazanium iodide
CID 18528291
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419
3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
(3R,5R)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 92966143
(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 92966142
1,3-dimethyl-3-phenylpiperidine-2,6-dione
CID 13260886
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride
CID 67108178
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione (CID 13052894) is 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione is CCC1(c2ccccc2)CCC(=O)N(N)C1=O.
What is the InChIKey of 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is JDQVSLGOXITLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(10-6-4-3-5-7-10)9-8-11(16)15(14)12(13)17/h3-7H,2,8-9,14H2,1H3.
What are the key properties of 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
1-amino-3-ethyl-3-phenylpiperidine-2,6-dione has a molecular weight of 232.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 13052894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).