1-tert-butyl-4-phenylpiperidine-2,6-dione

C15H19NO2 — CID 59551400

IUPAC1-tert-butyl-4-phenylpiperidine-2,6-dione
SMILESCC(C)(C)N1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-13(17)9-12(10-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyHUWAJJFTTPBRPH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.72
Rot. Bonds1

About 1-tert-butyl-4-phenylpiperidine-2,6-dione

1-tert-butyl-4-phenylpiperidine-2,6-dione (PubChem CID 59551400) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-tert-butyl-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-tert-butyl-4-phenylpiperidine-2,6-dione
PubChem CID59551400
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-tert-butyl-4-phenylpiperidine-2,6-dione
SMILESCC(C)(C)N1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-13(17)9-12(10-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyHUWAJJFTTPBRPH-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.72
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

(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
1,4-diphenylpiperidine-2,6-dione
CID 2812798
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
1-(4-ethylphenyl)-4-phenylpiperidine-2,6-dione
CID 46298377
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one
CID 102276882
1-(1-aminoethyl)-4-phenylpyrrolidin-2-one
CID 143666177
(5S)-1-tert-butyl-5-phenylpyrrolidin-3-one
CID 69330365
(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
CID 101372634
1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
CID 102410178

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenylpiperidine-2,6-dione?
The IUPAC name of 1-tert-butyl-4-phenylpiperidine-2,6-dione (CID 59551400) is 1-tert-butyl-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-tert-butyl-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-tert-butyl-4-phenylpiperidine-2,6-dione is CC(C)(C)N1C(=O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-phenylpiperidine-2,6-dione?
The InChIKey is HUWAJJFTTPBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)16-13(17)9-12(10-14(16)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-phenylpiperidine-2,6-dione?
1-tert-butyl-4-phenylpiperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 59551400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).