[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C20H19BrFNO3 — CID 25475454

IUPAC[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C20H19BrFNO3/c1-26-16-5-2-13(3-6-16)19(24)14-8-10-23(11-9-14)20(25)17-7-4-15(21)12-18(17)22/h2-7,12,14H,8-11H2,1H3
InChIKeyMCSUFKNCKDVKAJ-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.33
Rot. Bonds4

About [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 25475454) has the molecular formula C20H19BrFNO3 and a molecular weight of 420.28 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID25475454
Molecular FormulaC20H19BrFNO3
Molecular Weight420.28 g/mol
Exact Mass419.05
IUPAC Name[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C20H19BrFNO3/c1-26-16-5-2-13(3-6-16)19(24)14-8-10-23(11-9-14)20(25)17-7-4-15(21)12-18(17)22/h2-7,12,14H,8-11H2,1H3
InChIKeyMCSUFKNCKDVKAJ-UHFFFAOYSA-N
XLogP4.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824480
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33366935
(3S)-1-(4-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 94917320
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38322173
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 60954864
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
CID 95760054

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 25475454) is [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1.
What is the InChIKey of [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MCSUFKNCKDVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO3/c1-26-16-5-2-13(3-6-16)19(24)14-8-10-23(11-9-14)20(25)17-7-4-15(21)12-18(17)22/h2-7,12,14H,8-11H2,1H3.
What are the key properties of [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 420.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 25475454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).