1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione

C17H21NO2 — CID 3449005

IUPAC1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CC(=O)CC1C=Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-14(11-15(19)12-16(18)20)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3
InChIKeyZRZIPHICTAAYIA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.06
Rot. Bonds2

About 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione

1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione (PubChem CID 3449005) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
PubChem CID3449005
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CC(=O)CC1C=Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-14(11-15(19)12-16(18)20)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3
InChIKeyZRZIPHICTAAYIA-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione?
The IUPAC name of 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione (CID 3449005) is 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione is CC(C)(C)N1C(=O)CC(=O)CC1C=Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione?
The InChIKey is ZRZIPHICTAAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)18-14(11-15(19)12-16(18)20)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3.
What are the key properties of 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione?
1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione has a molecular weight of 271.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione is sourced from PubChem (CID 3449005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).