(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

C13H17BrN2O — CID 42906109

IUPAC(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN2O/c1-2-12-5-3-4-6-16(12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3
InChIKeyUSQNLOOQYZLZBC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.25
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 42906109) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID42906109
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN2O/c1-2-12-5-3-4-6-16(12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3
InChIKeyUSQNLOOQYZLZBC-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (CID 42906109) is (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is USQNLOOQYZLZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-12-5-3-4-6-16(12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 297.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 42906109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).