4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide

C21H20N4O2 — CID 135300453

IUPAC4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C21H20N4O2/c22-20(26)15-6-4-14(5-7-15)19-13-23-17-9-8-16(12-18(17)24-19)21(27)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H2,22,26)
InChIKeyZXGNAMBNNDCNFZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.02
Rot. Bonds3

About 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide

4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide (PubChem CID 135300453) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide.

Molecular Properties

Compound Name4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide
PubChem CID135300453
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C21H20N4O2/c22-20(26)15-6-4-14(5-7-15)19-13-23-17-9-8-16(12-18(17)24-19)21(27)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H2,22,26)
InChIKeyZXGNAMBNNDCNFZ-UHFFFAOYSA-N
XLogP3.02
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide?
The IUPAC name of 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide (CID 135300453) is 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide.
What is the SMILES notation for 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide?
The canonical SMILES for 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide is NC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide?
The InChIKey is ZXGNAMBNNDCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-20(26)15-6-4-14(5-7-15)19-13-23-17-9-8-16(12-18(17)24-19)21(27)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H2,22,26).
What are the key properties of 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide?
4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzamide is sourced from PubChem (CID 135300453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).