N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide

C13H15Cl2N3O2 — CID 104727779

IUPACN-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1cc(Cl)c(NC(=O)C(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8-6-10(15)11(7-9(8)14)17-12(19)13(20)18-4-2-16-3-5-18/h6-7,16H,2-5H2,1H3,(H,17,19)
InChIKeyBFXSSKOJBSPVNZ-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.67
Rot. Bonds1

About N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 104727779) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID104727779
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1cc(Cl)c(NC(=O)C(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8-6-10(15)11(7-9(8)14)17-12(19)13(20)18-4-2-16-3-5-18/h6-7,16H,2-5H2,1H3,(H,17,19)
InChIKeyBFXSSKOJBSPVNZ-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)-2-oxoacetamide
CID 103586827
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 82511012
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
CID 87690825
N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 61468238
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 104727779) is N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide is Cc1cc(Cl)c(NC(=O)C(=O)N2CCNCC2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is BFXSSKOJBSPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-8-6-10(15)11(7-9(8)14)17-12(19)13(20)18-4-2-16-3-5-18/h6-7,16H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 316.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 104727779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).