5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one

C11H14BrN3O — CID 112582371

IUPAC5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2cccc(Br)n2)CN1
InChIInChI=1S/C11H14BrN3O/c12-10-3-1-2-9(15-10)7-13-8-4-5-11(16)14-6-8/h1-3,8,13H,4-7H2,(H,14,16)
InChIKeyCILUTKQFKMPGMX-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.21
Rot. Bonds3

About 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one

5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one (PubChem CID 112582371) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
PubChem CID112582371
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2cccc(Br)n2)CN1
InChIInChI=1S/C11H14BrN3O/c12-10-3-1-2-9(15-10)7-13-8-4-5-11(16)14-6-8/h1-3,8,13H,4-7H2,(H,14,16)
InChIKeyCILUTKQFKMPGMX-UHFFFAOYSA-N
XLogP1.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
CID 130986202
5-(thiadiazol-4-ylmethylamino)piperidin-2-one
CID 63662075
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 112582422
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one
CID 63661949
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
5-(2-phenylethylamino)piperidin-2-one
CID 63661902

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one (CID 112582371) is 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one is O=C1CCC(NCc2cccc(Br)n2)CN1.
What is the InChIKey of 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one?
The InChIKey is CILUTKQFKMPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-10-3-1-2-9(15-10)7-13-8-4-5-11(16)14-6-8/h1-3,8,13H,4-7H2,(H,14,16).
What are the key properties of 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one?
5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one is sourced from PubChem (CID 112582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).