1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one

C15H17BrFNO2 — CID 79549531

IUPAC1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-9-11(16)5-6-14(13)17/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyXSEFWUOCDUQMET-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.56
Rot. Bonds3

About 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one

1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 79549531) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
PubChem CID79549531
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC Name1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-9-11(16)5-6-14(13)17/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyXSEFWUOCDUQMET-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549165
1-[1-(4-bromo-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79541551
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549037
1-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541105
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459
1-[1-(4-bromo-3-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540685
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
1-[1-(2-bromo-5-methylbenzoyl)azepan-2-yl]propan-2-one
CID 81109449
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
2-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371449

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one (CID 79549531) is 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is XSEFWUOCDUQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-10(19)8-12-4-2-3-7-18(12)15(20)13-9-11(16)5-6-14(13)17/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 342.21 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).