4-[(2,6-dichlorophenyl)methyl]piperazin-2-one

C11H12Cl2N2O — CID 8962883

IUPAC4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C11H12Cl2N2O/c12-9-2-1-3-10(13)8(9)6-15-5-4-14-11(16)7-15/h1-3H,4-7H2,(H,14,16)
InChIKeyHIJWFURVYMKUEM-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.93
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one

4-[(2,6-dichlorophenyl)methyl]piperazin-2-one (PubChem CID 8962883) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
PubChem CID8962883
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C11H12Cl2N2O/c12-9-2-1-3-10(13)8(9)6-15-5-4-14-11(16)7-15/h1-3H,4-7H2,(H,14,16)
InChIKeyHIJWFURVYMKUEM-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one 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-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
4-[(2-chloro-3-pyridinyl)methyl]piperazin-2-one
CID 60617185
4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-2-one
CID 17401649
1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
CID 64875034
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010
3-chloro-4-[(3-oxopiperazin-1-yl)methyl]benzonitrile
CID 102665268
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
4-[2-(2,6-dichlorophenyl)acetyl]-1,4-diazepan-2-one
CID 62898920
4-(1H-pyrrol-3-ylmethyl)piperazin-2-one
CID 126997870
2-amino-6-[(3-oxopiperazin-1-yl)methyl]benzoic acid
CID 104824232
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one (CID 8962883) is 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one is O=C1CN(Cc2c(Cl)cccc2Cl)CCN1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one?
The InChIKey is HIJWFURVYMKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-9-2-1-3-10(13)8(9)6-15-5-4-14-11(16)7-15/h1-3H,4-7H2,(H,14,16).
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one?
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one has a molecular weight of 259.14 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 8962883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).