3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione

C17H21NO3 — CID 167071306

IUPAC3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione
SMILESCCc1ccc([C@H]2CC(C3CCC(=O)NC3=O)CO2)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-3-5-12(6-4-11)15-9-13(10-21-15)14-7-8-16(19)18-17(14)20/h3-6,13-15H,2,7-10H2,1H3,(H,18,19,20)/t13?,14?,15-/m1/s1
InChIKeyKUGUJDZDKLZRPF-YMAMQOFZSA-N
MW287.36 g/mol
LogP2.38
Rot. Bonds3

About 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione

3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione (PubChem CID 167071306) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione
PubChem CID167071306
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione
SMILESCCc1ccc([C@H]2CC(C3CCC(=O)NC3=O)CO2)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-3-5-12(6-4-11)15-9-13(10-21-15)14-7-8-16(19)18-17(14)20/h3-6,13-15H,2,7-10H2,1H3,(H,18,19,20)/t13?,14?,15-/m1/s1
InChIKeyKUGUJDZDKLZRPF-YMAMQOFZSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.38
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-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione (CID 167071306) is 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione is CCc1ccc([C@H]2CC(C3CCC(=O)NC3=O)CO2)cc1.
What is the InChIKey of 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione?
The InChIKey is KUGUJDZDKLZRPF-YMAMQOFZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-11-3-5-12(6-4-11)15-9-13(10-21-15)14-7-8-16(19)18-17(14)20/h3-6,13-15H,2,7-10H2,1H3,(H,18,19,20)/t13?,14?,15-/m1/s1.
What are the key properties of 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione?
3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 167071306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).