[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C19H17BrFNO2 — CID 46906252

IUPAC[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrFNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
InChIKeyMMOUWYVYTVUFAB-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.32
Rot. Bonds3

About [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46906252) has the molecular formula C19H17BrFNO2 and a molecular weight of 390.25 g/mol. Its IUPAC name is [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46906252
Molecular FormulaC19H17BrFNO2
Molecular Weight390.25 g/mol
Exact Mass389.04
IUPAC Name[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrFNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2
InChIKeyMMOUWYVYTVUFAB-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone 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

(4'-((Allyl(Methyl)Amino)Methyl)-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone
CID 445986
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837
[1-(4-Methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
2-(4-Benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
CID 664759
(2,6-Difluoro-phenyl)-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-methanone
CID 1438295
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
(4-Bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methanone
CID 457671
(1-Benzyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 11779386
[4-(3,5-Dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone
CID 24981653

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46906252) is [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is MMOUWYVYTVUFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFNO2/c20-16-5-1-15(2-6-16)19(24)22-11-9-14(10-12-22)18(23)13-3-7-17(21)8-4-13/h1-8,14H,9-12H2.
What are the key properties of [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 390.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46906252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).