4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione

C18H25NO2 — CID 79310088

IUPAC4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-11(2)16-14(10-15(20)19-17(16)21)12-6-8-13(9-7-12)18(3,4)5/h6-9,11,14,16H,10H2,1-5H3,(H,19,20,21)
InChIKeyNRTFMTSBOPVYSB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.39
Rot. Bonds2

About 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79310088) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79310088
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-11(2)16-14(10-15(20)19-17(16)21)12-6-8-13(9-7-12)18(3,4)5/h6-9,11,14,16H,10H2,1-5H3,(H,19,20,21)
InChIKeyNRTFMTSBOPVYSB-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79310088) is 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is NRTFMTSBOPVYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11(2)16-14(10-15(20)19-17(16)21)12-6-8-13(9-7-12)18(3,4)5/h6-9,11,14,16H,10H2,1-5H3,(H,19,20,21).
What are the key properties of 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 287.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79310088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).