4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one

C11H12Cl2N2O — CID 117005230

IUPAC4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-2-3-15(7-11(14)16)10-5-8(12)4-9(13)6-10/h4-6H,2-3,7H2,1H3
InChIKeyHADPZEMWTPSQIZ-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.27
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one

4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one (PubChem CID 117005230) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
PubChem CID117005230
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-2-3-15(7-11(14)16)10-5-8(12)4-9(13)6-10/h4-6H,2-3,7H2,1H3
InChIKeyHADPZEMWTPSQIZ-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
1-(3,5-dichlorophenyl)pyrrolidin-3-one
CID 23052984
4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one
CID 166260361
4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
CID 112751827
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
CID 104924420
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one (CID 117005230) is 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one is CN1CCN(c2cc(Cl)cc(Cl)c2)CC1=O.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one?
The InChIKey is HADPZEMWTPSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-14-2-3-15(7-11(14)16)10-5-8(12)4-9(13)6-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one?
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 117005230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).