1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

C24H19F5N2O — CID 17110283

IUPAC1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C24H19F5N2O/c25-18-19(26)21(28)23(22(29)20(18)27)30-11-13-31(14-12-30)24(32)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyPDSZRCAFFCLSHE-UHFFFAOYSA-N
MW446.42 g/mol
LogP4.86
Rot. Bonds4

About 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 17110283) has the molecular formula C24H19F5N2O and a molecular weight of 446.42 g/mol. Its IUPAC name is 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID17110283
Molecular FormulaC24H19F5N2O
Molecular Weight446.42 g/mol
Exact Mass446.14
IUPAC Name1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C24H19F5N2O/c25-18-19(26)21(28)23(22(29)20(18)27)30-11-13-31(14-12-30)24(32)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyPDSZRCAFFCLSHE-UHFFFAOYSA-N
XLogP4.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]-2,2-diphenylacetamide
CID 3763434
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081358
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2,2-diphenyl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108533885
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 122281267
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4677117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (CID 17110283) is 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is PDSZRCAFFCLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N2O/c25-18-19(26)21(28)23(22(29)20(18)27)30-11-13-31(14-12-30)24(32)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 446.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 17110283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).