4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione

C16H21NO4 — CID 79310062

IUPAC4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO4/c1-4-5-11-12(9-15(18)17-16(11)19)10-6-7-13(20-2)14(8-10)21-3/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,18,19)
InChIKeySYUQPYXVUJRVRP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.25
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione

4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione (PubChem CID 79310062) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione
PubChem CID79310062
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO4/c1-4-5-11-12(9-15(18)17-16(11)19)10-6-7-13(20-2)14(8-10)21-3/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,18,19)
InChIKeySYUQPYXVUJRVRP-UHFFFAOYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione (CID 79310062) is 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione?
The InChIKey is SYUQPYXVUJRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-5-11-12(9-15(18)17-16(11)19)10-6-7-13(20-2)14(8-10)21-3/h6-8,11-12H,4-5,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione?
4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 79310062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).