2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone

C12H15BrN2O — CID 18985988

IUPAC2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-11-6-10(8-14-9-11)7-12(16)15-4-2-1-3-5-15/h6,8-9H,1-5,7H2
InChIKeyICTSMORJFGXHLZ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.40
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone

2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone (PubChem CID 18985988) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
PubChem CID18985988
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-11-6-10(8-14-9-11)7-12(16)15-4-2-1-3-5-15/h6,8-9H,1-5,7H2
InChIKeyICTSMORJFGXHLZ-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 169488552
tert-butyl 4-[2-(5-bromo-3-pyridinyl)acetyl]piperazine-1-carboxylate
CID 169488557
5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 39229520
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116576762
1-[4-[(5-bromo-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 66509839
2-(5-bromo-3-pyridinyl)-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone
CID 3728542
2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
CID 74228366
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
CID 162318188
1-(3-aminocyclohexyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116569032

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone (CID 18985988) is 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone is O=C(Cc1cncc(Br)c1)N1CCCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone?
The InChIKey is ICTSMORJFGXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-11-6-10(8-14-9-11)7-12(16)15-4-2-1-3-5-15/h6,8-9H,1-5,7H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone?
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone has a molecular weight of 283.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 18985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).