N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide

C13H16ClN3O3 — CID 28507464

IUPACN-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)8-10(11)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyPEEGPRQUFJAVMV-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.72
Rot. Bonds2

About N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 28507464) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID28507464
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)8-10(11)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyPEEGPRQUFJAVMV-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108502327
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 28507464) is N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide is COc1ccc(Cl)cc1NC(=O)C(=O)N1CCNCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is PEEGPRQUFJAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(14)8-10(11)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 297.74 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28507464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).