2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide

C21H22N4O — CID 46916365

IUPAC2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H22N4O/c26-21(15-25-11-4-1-5-12-25)23-17-8-6-7-16(13-17)20-14-22-18-9-2-3-10-19(18)24-20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,23,26)
InChIKeyKDWMCCGEVVUUSI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.72
Rot. Bonds4

About 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide

2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide (PubChem CID 46916365) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide
PubChem CID46916365
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H22N4O/c26-21(15-25-11-4-1-5-12-25)23-17-8-6-7-16(13-17)20-14-22-18-9-2-3-10-19(18)24-20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,23,26)
InChIKeyKDWMCCGEVVUUSI-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide?
The IUPAC name of 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide (CID 46916365) is 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide is O=C(CN1CCCCC1)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide?
The InChIKey is KDWMCCGEVVUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(15-25-11-4-1-5-12-25)23-17-8-6-7-16(13-17)20-14-22-18-9-2-3-10-19(18)24-20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,23,26).
What are the key properties of 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide?
2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(3-quinoxalin-2-ylphenyl)acetamide is sourced from PubChem (CID 46916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).