1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone

C17H16Cl3N3O — CID 60526232

IUPAC1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-13-3-1-4-14(19)12(13)11-17(24)23-9-7-22(8-10-23)16-6-2-5-15(20)21-16/h1-6H,7-11H2
InChIKeyQIVGWCAHLLQXJX-UHFFFAOYSA-N
MW384.69 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone

1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone (PubChem CID 60526232) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
PubChem CID60526232
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-13-3-1-4-14(19)12(13)11-17(24)23-9-7-22(8-10-23)16-6-2-5-15(20)21-16/h1-6H,7-11H2
InChIKeyQIVGWCAHLLQXJX-UHFFFAOYSA-N
XLogP3.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8004063
2-(2-chloro-6-fluorophenyl)-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343900
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
2-(2-chloro-6-fluorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537530
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
4-(2-bromophenoxy)-1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 55877115
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide
CID 55861764
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
2-(2-chloro-6-fluorophenyl)-1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344562
2-(2,6-dichlorophenyl)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55917762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone (CID 60526232) is 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is QIVGWCAHLLQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-13-3-1-4-14(19)12(13)11-17(24)23-9-7-22(8-10-23)16-6-2-5-15(20)21-16/h1-6H,7-11H2.
What are the key properties of 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone?
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 384.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 60526232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).