4-methoxy-3-propan-2-ylpiperidine-2,6-dione

C9H15NO3 — CID 167008611

IUPAC4-methoxy-3-propan-2-ylpiperidine-2,6-dione
SMILESCOC1CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C9H15NO3/c1-5(2)8-6(13-3)4-7(11)10-9(8)12/h5-6,8H,4H2,1-3H3,(H,10,11,12)
InChIKeyRHEHRBJQRFMGPP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.32
Rot. Bonds2

About 4-methoxy-3-propan-2-ylpiperidine-2,6-dione

4-methoxy-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 167008611) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methoxy-3-propan-2-ylpiperidine-2,6-dione
PubChem CID167008611
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-methoxy-3-propan-2-ylpiperidine-2,6-dione
SMILESCOC1CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C9H15NO3/c1-5(2)8-6(13-3)4-7(11)10-9(8)12/h5-6,8H,4H2,1-3H3,(H,10,11,12)
InChIKeyRHEHRBJQRFMGPP-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310299
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291
4-(2,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310292
4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320166
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320367
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-methoxy-3-propan-2-ylpiperidine-2,6-dione (CID 167008611) is 4-methoxy-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-methoxy-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-methoxy-3-propan-2-ylpiperidine-2,6-dione is COC1CC(=O)NC(=O)C1C(C)C.
What is the InChIKey of 4-methoxy-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is RHEHRBJQRFMGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(2)8-6(13-3)4-7(11)10-9(8)12/h5-6,8H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 4-methoxy-3-propan-2-ylpiperidine-2,6-dione?
4-methoxy-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 185.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 167008611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).