N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide

C11H12Cl2N4O2 — CID 87690825

IUPACN-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccnc(Cl)c1Cl)C(=O)N1CCNCC1
InChIInChI=1S/C11H12Cl2N4O2/c12-8-7(1-2-15-9(8)13)16-10(18)11(19)17-5-3-14-4-6-17/h1-2,14H,3-6H2,(H,15,16,18)
InChIKeyTVFDVADUGQKPDN-UHFFFAOYSA-N
MW303.15 g/mol
LogP0.76
Rot. Bonds1

About N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 87690825) has the molecular formula C11H12Cl2N4O2 and a molecular weight of 303.15 g/mol. Its IUPAC name is N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID87690825
Molecular FormulaC11H12Cl2N4O2
Molecular Weight303.15 g/mol
Exact Mass302.03
IUPAC NameN-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccnc(Cl)c1Cl)C(=O)N1CCNCC1
InChIInChI=1S/C11H12Cl2N4O2/c12-8-7(1-2-15-9(8)13)16-10(18)11(19)17-5-3-14-4-6-17/h1-2,14H,3-6H2,(H,15,16,18)
InChIKeyTVFDVADUGQKPDN-UHFFFAOYSA-N
XLogP0.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517054
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 61468238
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
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 54921208
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43580810

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide (CID 87690825) is N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(Nc1ccnc(Cl)c1Cl)C(=O)N1CCNCC1.
What is the InChIKey of N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is TVFDVADUGQKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2/c12-8-7(1-2-15-9(8)13)16-10(18)11(19)17-5-3-14-4-6-17/h1-2,14H,3-6H2,(H,15,16,18).
What are the key properties of N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 303.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 87690825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).