4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione

C11H10ClN3O3 — CID 112576024

IUPAC4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
SMILESNc1cccc(C(=O)N2CC(=O)NC(=O)C2)c1Cl
InChIInChI=1S/C11H10ClN3O3/c12-10-6(2-1-3-7(10)13)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5,13H2,(H,14,16,17)
InChIKeyWQKXSECCUFSPOW-UHFFFAOYSA-N
MW267.67 g/mol
LogP0.02
Rot. Bonds1

About 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione

4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione (PubChem CID 112576024) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
PubChem CID112576024
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
SMILESNc1cccc(C(=O)N2CC(=O)NC(=O)C2)c1Cl
InChIInChI=1S/C11H10ClN3O3/c12-10-6(2-1-3-7(10)13)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5,13H2,(H,14,16,17)
InChIKeyWQKXSECCUFSPOW-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Chloro-5-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 717962
4-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 3159803
2-chloro-N-{2-[(4-fluorophenyl)amino]-2-oxoethyl}benzamide
CID 771903
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 2889974
2-Chloro-N-[3-chloro-4-(2-piperidin-1-yl-acetylamino)-phenyl]-benzamide
CID 12004729
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide
CID 71583420
3-[[(Z)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoyl]amino]benzamide
CID 137632525
4-chloro-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 2906314
2-chloro-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222608
4-[(2-Chloro-4-fluorophenyl)carbonyl]-1-(2-chlorophenyl)-2-piperazinone
CID 25268004
2-Chloro-5-(piperidine-1-carbonyl)aniline
CID 16090775
2-chloro-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzamide
CID 2104891

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione (CID 112576024) is 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione is Nc1cccc(C(=O)N2CC(=O)NC(=O)C2)c1Cl.
What is the InChIKey of 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione?
The InChIKey is WQKXSECCUFSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-10-6(2-1-3-7(10)13)11(18)15-4-8(16)14-9(17)5-15/h1-3H,4-5,13H2,(H,14,16,17).
What are the key properties of 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione?
4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione has a molecular weight of 267.67 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 112576024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).