[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

C25H20F2N2O3 — CID 166198252

IUPAC[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C25H20F2N2O3/c26-20-10-11-22(27)21(16-20)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)23(30)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyGZKFBINOSRQGCA-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.79
Rot. Bonds4

About [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 166198252) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID166198252
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C25H20F2N2O3/c26-20-10-11-22(27)21(16-20)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)23(30)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyGZKFBINOSRQGCA-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
CID 1152760
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (CID 166198252) is [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is GZKFBINOSRQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c26-20-10-11-22(27)21(16-20)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)23(30)17-4-2-1-3-5-17/h1-11,16H,12-15H2.
What are the key properties of [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 434.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 166198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).