N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide

C12H14ClN3O2 — CID 28507441

IUPACN-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C12H14ClN3O2/c13-9-1-3-10(4-2-9)15-11(17)12(18)16-7-5-14-6-8-16/h1-4,14H,5-8H2,(H,15,17)
InChIKeyOSXQFFPKFWJTIF-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.71
Rot. Bonds1

About N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 28507441) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID28507441
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C12H14ClN3O2/c13-9-1-3-10(4-2-9)15-11(17)12(18)16-7-5-14-6-8-16/h1-4,14H,5-8H2,(H,15,17)
InChIKeyOSXQFFPKFWJTIF-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.71
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-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 43327510
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
2-(1,4-diazepan-1-yl)-2-oxo-N-thiophen-3-ylacetamide
CID 66356093
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
CID 87690825
N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43145018
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 28507441) is N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(Nc1ccc(Cl)cc1)C(=O)N1CCNCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is OSXQFFPKFWJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-9-1-3-10(4-2-9)15-11(17)12(18)16-7-5-14-6-8-16/h1-4,14H,5-8H2,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 267.72 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28507441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).