[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C18H15F3N2O2 — CID 36510130

IUPAC[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H15F3N2O2/c19-13-6-4-12(5-7-13)17(24)22-8-10-23(11-9-22)18(25)16-14(20)2-1-3-15(16)21/h1-7H,8-11H2
InChIKeyWEHGFEQHDBIFFI-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.70
Rot. Bonds2

About [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 36510130) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID36510130
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H15F3N2O2/c19-13-6-4-12(5-7-13)17(24)22-8-10-23(11-9-22)18(25)16-14(20)2-1-3-15(16)21/h1-7H,8-11H2
InChIKeyWEHGFEQHDBIFFI-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
(4-fluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808135
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 36510130) is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is WEHGFEQHDBIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-13-6-4-12(5-7-13)17(24)22-8-10-23(11-9-22)18(25)16-14(20)2-1-3-15(16)21/h1-7H,8-11H2.
What are the key properties of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 348.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 36510130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).