3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione

C15H20N2O3 — CID 170132586

IUPAC3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
SMILESCOc1nc(C(C)(C)C)ccc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H20N2O3/c1-15(2,3)11-7-5-10(14(16-11)20-4)9-6-8-12(18)17-13(9)19/h5,7,9H,6,8H2,1-4H3,(H,17,18,19)
InChIKeyGMQDSVNQZSOOGJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds2

About 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione

3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione (PubChem CID 170132586) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
PubChem CID170132586
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
SMILESCOc1nc(C(C)(C)C)ccc1C1CCC(=O)NC1=O
InChIInChI=1S/C15H20N2O3/c1-15(2,3)11-7-5-10(14(16-11)20-4)9-6-8-12(18)17-13(9)19/h5,7,9H,6,8H2,1-4H3,(H,17,18,19)
InChIKeyGMQDSVNQZSOOGJ-UHFFFAOYSA-N
XLogP1.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
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 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione?
The IUPAC name of 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione (CID 170132586) is 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione is COc1nc(C(C)(C)C)ccc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione?
The InChIKey is GMQDSVNQZSOOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)11-7-5-10(14(16-11)20-4)9-6-8-12(18)17-13(9)19/h5,7,9H,6,8H2,1-4H3,(H,17,18,19).
What are the key properties of 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione?
3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione is sourced from PubChem (CID 170132586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).