3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one

C11H12Cl2N2O — CID 62349810

IUPAC3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one
SMILESCC1(c2cc(Cl)ccc2Cl)NCCNC1=O
InChIInChI=1S/C11H12Cl2N2O/c1-11(10(16)14-4-5-15-11)8-6-7(12)2-3-9(8)13/h2-3,6,15H,4-5H2,1H3,(H,14,16)
InChIKeyLZXKVUWILYWZMN-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.93
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one

3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one (PubChem CID 62349810) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one
PubChem CID62349810
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one
SMILESCC1(c2cc(Cl)ccc2Cl)NCCNC1=O
InChIInChI=1S/C11H12Cl2N2O/c1-11(10(16)14-4-5-15-11)8-6-7(12)2-3-9(8)13/h2-3,6,15H,4-5H2,1H3,(H,14,16)
InChIKeyLZXKVUWILYWZMN-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one (CID 62349810) is 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one is CC1(c2cc(Cl)ccc2Cl)NCCNC1=O.
What is the InChIKey of 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is LZXKVUWILYWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-11(10(16)14-4-5-15-11)8-6-7(12)2-3-9(8)13/h2-3,6,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one?
3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 259.14 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 62349810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).