1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione

C22H20N4O3 — CID 5280269

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C22H20N4O3/c1-15-14-25(21(28)16-7-3-2-4-8-16)11-12-26(15)22(29)20(27)19-13-23-17-9-5-6-10-18(17)24-19/h2-10,13,15H,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJKHFNOANZOYIKE-OAHLLOKOSA-N
MW388.43 g/mol
LogP2.19
Rot. Bonds3

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione (PubChem CID 5280269) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione
PubChem CID5280269
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C22H20N4O3/c1-15-14-25(21(28)16-7-3-2-4-8-16)11-12-26(15)22(29)20(27)19-13-23-17-9-5-6-10-18(17)24-19/h2-10,13,15H,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJKHFNOANZOYIKE-OAHLLOKOSA-N
XLogP2.19
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione (CID 5280269) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione?
The InChIKey is JKHFNOANZOYIKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-14-25(21(28)16-7-3-2-4-8-16)11-12-26(15)22(29)20(27)19-13-23-17-9-5-6-10-18(17)24-19/h2-10,13,15H,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione has a molecular weight of 388.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione is sourced from PubChem (CID 5280269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).