N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

C12H14Cl2N4O2 — CID 29276726

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C12H14Cl2N4O2/c13-7-3-8(14)12(9(15)4-7)17-11(20)6-18-2-1-16-10(19)5-18/h3-4H,1-2,5-6,15H2,(H,16,19)(H,17,20)
InChIKeyYPIDUOFJHXUTLA-UHFFFAOYSA-N
MW317.18 g/mol
LogP0.95
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 29276726) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID29276726
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C12H14Cl2N4O2/c13-7-3-8(14)12(9(15)4-7)17-11(20)6-18-2-1-16-10(19)5-18/h3-4H,1-2,5-6,15H2,(H,16,19)(H,17,20)
InChIKeyYPIDUOFJHXUTLA-UHFFFAOYSA-N
XLogP0.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 43078334
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 16778689
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(2-amino-4,6-dichlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28552043

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 29276726) is N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CN1CCNC(=O)C1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is YPIDUOFJHXUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2/c13-7-3-8(14)12(9(15)4-7)17-11(20)6-18-2-1-16-10(19)5-18/h3-4H,1-2,5-6,15H2,(H,16,19)(H,17,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 317.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 29276726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).