1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione

C13H15BrN2O2 — CID 113455679

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(Br)cn2)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-13(2)5-11(17)16(12(18)6-13)8-10-4-3-9(14)7-15-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPFMFXMNITSMFCL-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.52
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 113455679) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID113455679
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(Br)cn2)C(=O)C1
InChIInChI=1S/C13H15BrN2O2/c1-13(2)5-11(17)16(12(18)6-13)8-10-4-3-9(14)7-15-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPFMFXMNITSMFCL-UHFFFAOYSA-N
XLogP2.52
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
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 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 113455679) is 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2ccc(Br)cn2)C(=O)C1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is PFMFXMNITSMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2)5-11(17)16(12(18)6-13)8-10-4-3-9(14)7-15-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 311.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 113455679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).