[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

C20H20F2N2O2 — CID 33014024

IUPAC[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C20H20F2N2O2/c1-13-10-14(2)12-15(11-13)19(25)23-6-8-24(9-7-23)20(26)18-16(21)4-3-5-17(18)22/h3-5,10-12H,6-9H2,1-2H3
InChIKeyGUBPTTWJYNRUID-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.18
Rot. Bonds2

About [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 33014024) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID33014024
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C20H20F2N2O2/c1-13-10-14(2)12-15(11-13)19(25)23-6-8-24(9-7-23)20(26)18-16(21)4-3-5-17(18)22/h3-5,10-12H,6-9H2,1-2H3
InChIKeyGUBPTTWJYNRUID-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
(5-amino-2-methylphenyl)-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626677
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(3,5-dimethylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7242278
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 68540113
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (CID 33014024) is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c1.
What is the InChIKey of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is GUBPTTWJYNRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-10-14(2)12-15(11-13)19(25)23-6-8-24(9-7-23)20(26)18-16(21)4-3-5-17(18)22/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 358.39 g/mol, XLogP of 3.18, 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]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 33014024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).