2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone

C25H30ClFN4O2 — CID 25355230

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)CC2)cc1
InChIInChI=1S/C25H30ClFN4O2/c1-19(32)20-5-7-21(8-6-20)30-13-9-29(10-14-30)18-25(33)31-15-11-28(12-16-31)17-22-23(26)3-2-4-24(22)27/h2-8H,9-18H2,1H3
InChIKeyVLLXHHPWCFURED-UHFFFAOYSA-N
MW472.99 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 25355230) has the molecular formula C25H30ClFN4O2 and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID25355230
Molecular FormulaC25H30ClFN4O2
Molecular Weight472.99 g/mol
Exact Mass472.20
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)CC2)cc1
InChIInChI=1S/C25H30ClFN4O2/c1-19(32)20-5-7-21(8-6-20)30-13-9-29(10-14-30)18-25(33)31-15-11-28(12-16-31)17-22-23(26)3-2-4-24(22)27/h2-8H,9-18H2,1H3
InChIKeyVLLXHHPWCFURED-UHFFFAOYSA-N
XLogP3.15
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46807626
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55591824
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
2-(2-chloro-6-fluorophenyl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8779418
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 18120082
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 2810274
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 18225321
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone (CID 25355230) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone is CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VLLXHHPWCFURED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN4O2/c1-19(32)20-5-7-21(8-6-20)30-13-9-29(10-14-30)18-25(33)31-15-11-28(12-16-31)17-22-23(26)3-2-4-24(22)27/h2-8H,9-18H2,1H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 472.99 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25355230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).