4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one

C11H11Cl2N3O2 — CID 82832628

IUPAC4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
SMILESNc1c(Cl)cc(C(=O)N2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-7-3-6(4-8(13)10(7)14)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17)
InChIKeyGHHFXNSZFPCVHR-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.15
Rot. Bonds1

About 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one

4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one (PubChem CID 82832628) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
PubChem CID82832628
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
SMILESNc1c(Cl)cc(C(=O)N2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-7-3-6(4-8(13)10(7)14)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17)
InChIKeyGHHFXNSZFPCVHR-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-chlorobenzoyl)-1,4-diazepan-2-one
CID 65364125
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one
CID 31095582
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(5-iodothiophene-3-carbonyl)piperazin-2-one
CID 56783410
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-[3-chloro-4-(3-hydroxyprop-1-ynyl)benzoyl]piperazin-2-one
CID 81290136
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-[3-chloro-4-(4-hydroxybut-1-ynyl)benzoyl]piperazin-2-one
CID 81289362
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one (CID 82832628) is 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one is Nc1c(Cl)cc(C(=O)N2CCNC(=O)C2)cc1Cl.
What is the InChIKey of 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one?
The InChIKey is GHHFXNSZFPCVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-7-3-6(4-8(13)10(7)14)11(18)16-2-1-15-9(17)5-16/h3-4H,1-2,5,14H2,(H,15,17).
What are the key properties of 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one?
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one has a molecular weight of 288.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one is sourced from PubChem (CID 82832628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).