[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone

C18H15F3N2O2 — CID 33466238

IUPAC[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H15F3N2O2/c19-12-5-6-16(21)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-15(13)20/h1-6,11H,7-10H2
InChIKeyIXZOPYXNUNJEED-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.70
Rot. Bonds2

About [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 33466238) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID33466238
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H15F3N2O2/c19-12-5-6-16(21)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-15(13)20/h1-6,11H,7-10H2
InChIKeyIXZOPYXNUNJEED-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-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 33466238) is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is IXZOPYXNUNJEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-12-5-6-16(21)14(11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-15(13)20/h1-6,11H,7-10H2.
What are the key properties of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-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-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 33466238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).