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

C14H17NO3 — CID 3105273

IUPAC3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
SMILESCC(C)Oc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(16)15-14(12)17/h3-6,9,12H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHNXUFSCYMGRISB-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.99
Rot. Bonds3

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

3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione (PubChem CID 3105273) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
PubChem CID3105273
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
SMILESCC(C)Oc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(16)15-14(12)17/h3-6,9,12H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHNXUFSCYMGRISB-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.99
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-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione (CID 3105273) is 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione is CC(C)Oc1ccc(C2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
The InChIKey is HNXUFSCYMGRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(16)15-14(12)17/h3-6,9,12H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione?
3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione has a molecular weight of 247.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 3105273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).