1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone

C18H18Cl2N2O — CID 110453059

IUPAC1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13(23)14-9-16(20)12-18(10-14)22-7-5-21(6-8-22)17-4-2-3-15(19)11-17/h2-4,9-12H,5-8H2,1H3
InChIKeyIFSFHFJIOAYHHR-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.52
Rot. Bonds3

About 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone

1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 110453059) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
PubChem CID110453059
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13(23)14-9-16(20)12-18(10-14)22-7-5-21(6-8-22)17-4-2-3-15(19)11-17/h2-4,9-12H,5-8H2,1H3
InChIKeyIFSFHFJIOAYHHR-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 110453058
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-(3-chlorophenyl)azonane
CID 145391535
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
CID 168514235

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone (CID 110453059) is 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1cc(Cl)cc(N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is IFSFHFJIOAYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13(23)14-9-16(20)12-18(10-14)22-7-5-21(6-8-22)17-4-2-3-15(19)11-17/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone?
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 349.26 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 110453059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).