2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone

C21H23FN2O2 — CID 110802397

IUPAC2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-15-3-4-16(2)18(13-15)14-20(25)23-9-11-24(12-10-23)21(26)17-5-7-19(22)8-6-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeySYHDZDLQBCBEDT-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.97
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone

2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 110802397) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
PubChem CID110802397
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-15-3-4-16(2)18(13-15)14-20(25)23-9-11-24(12-10-23)21(26)17-5-7-19(22)8-6-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeySYHDZDLQBCBEDT-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110802481
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 110815318
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110815187
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 62538822
4-[4-[(2,5-dimethylphenyl)methyl]piperazine-1-carbonyl]benzamide
CID 167850936
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone (CID 110802397) is 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone is Cc1ccc(C)c(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is SYHDZDLQBCBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-15-3-4-16(2)18(13-15)14-20(25)23-9-11-24(12-10-23)21(26)17-5-7-19(22)8-6-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone?
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 354.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110802397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).