6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione

C17H23NO4 — CID 58531813

IUPAC6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione
SMILESCOc1ccc(C2CC(=O)C(CC(C)C)C(=O)N2)cc1OC
InChIInChI=1S/C17H23NO4/c1-10(2)7-12-14(19)9-13(18-17(12)20)11-5-6-15(21-3)16(8-11)22-4/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,18,20)
InChIKeyTVNWNTWUWFSBBM-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione

6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione (PubChem CID 58531813) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione
PubChem CID58531813
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione
SMILESCOc1ccc(C2CC(=O)C(CC(C)C)C(=O)N2)cc1OC
InChIInChI=1S/C17H23NO4/c1-10(2)7-12-14(19)9-13(18-17(12)20)11-5-6-15(21-3)16(8-11)22-4/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,18,20)
InChIKeyTVNWNTWUWFSBBM-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione (CID 58531813) is 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione is COc1ccc(C2CC(=O)C(CC(C)C)C(=O)N2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione?
The InChIKey is TVNWNTWUWFSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10(2)7-12-14(19)9-13(18-17(12)20)11-5-6-15(21-3)16(8-11)22-4/h5-6,8,10,12-13H,7,9H2,1-4H3,(H,18,20).
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione?
6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione has a molecular weight of 305.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione is sourced from PubChem (CID 58531813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).