3-(2,6-dichlorophenyl)piperazin-2-one

C10H10Cl2N2O — CID 62352120

IUPAC3-(2,6-dichlorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15)
InChIKeyZQKCZBCMRRGWRN-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.75
Rot. Bonds1

About 3-(2,6-dichlorophenyl)piperazin-2-one

3-(2,6-dichlorophenyl)piperazin-2-one (PubChem CID 62352120) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)piperazin-2-one
PubChem CID62352120
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name3-(2,6-dichlorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15)
InChIKeyZQKCZBCMRRGWRN-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 114859928
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
(3S)-3-(3-methylphenyl)piperazin-2-one
CID 55252949
(3R)-3-thiophen-2-ylpiperazin-2-one
CID 52539209
3-(2-cyclopropylphenyl)piperazin-2-one
CID 79982593
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
3-naphthalen-2-ylpiperazin-2-one
CID 62349991
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
CID 163627145
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
3-thiophen-3-ylpiperazin-2-one
CID 62352453
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)piperazin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)piperazin-2-one (CID 62352120) is 3-(2,6-dichlorophenyl)piperazin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)piperazin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)piperazin-2-one is O=C1NCCNC1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)piperazin-2-one?
The InChIKey is ZQKCZBCMRRGWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-6-2-1-3-7(12)8(6)9-10(15)14-5-4-13-9/h1-3,9,13H,4-5H2,(H,14,15).
What are the key properties of 3-(2,6-dichlorophenyl)piperazin-2-one?
3-(2,6-dichlorophenyl)piperazin-2-one has a molecular weight of 245.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)piperazin-2-one is sourced from PubChem (CID 62352120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).