4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

C20H20ClN3O3 — CID 120739668

IUPAC4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-15-6-2-1-5-14(15)17-11-22-9-10-23(17)19(25)12-24-16-7-3-4-8-18(16)27-13-20(24)26/h1-8,17,22H,9-13H2
InChIKeyZDIIKFOTHSESSN-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.24
Rot. Bonds3

About 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 120739668) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID120739668
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c21-15-6-2-1-5-14(15)17-11-22-9-10-23(17)19(25)12-24-16-7-3-4-8-18(16)27-13-20(24)26/h1-8,17,22H,9-13H2
InChIKeyZDIIKFOTHSESSN-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 120802372
[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 120739682
1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride
CID 120739511
2-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 120739215
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 120739581
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
4-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120877849
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one;hydrochloride
CID 120738248
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one (CID 120739668) is 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1CC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is ZDIIKFOTHSESSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-15-6-2-1-5-14(15)17-11-22-9-10-23(17)19(25)12-24-16-7-3-4-8-18(16)27-13-20(24)26/h1-8,17,22H,9-13H2.
What are the key properties of 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 385.85 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 120739668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).