3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione

C17H23NO3 — CID 79310291

IUPAC3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
SMILESCC(C)Oc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1
InChIInChI=1S/C17H23NO3/c1-10(2)16-14(9-15(19)18-17(16)20)12-5-7-13(8-6-12)21-11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,18,19,20)
InChIKeyRACZEGLPSPBRCK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.88
Rot. Bonds4

About 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione

3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione (PubChem CID 79310291) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
PubChem CID79310291
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
SMILESCC(C)Oc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1
InChIInChI=1S/C17H23NO3/c1-10(2)16-14(9-15(19)18-17(16)20)12-5-7-13(8-6-12)21-11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,18,19,20)
InChIKeyRACZEGLPSPBRCK-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The IUPAC name of 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione (CID 79310291) is 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione is CC(C)Oc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1.
What is the InChIKey of 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The InChIKey is RACZEGLPSPBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10(2)16-14(9-15(19)18-17(16)20)12-5-7-13(8-6-12)21-11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione has a molecular weight of 289.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79310291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).