N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide

C21H21FN4O — CID 171471671

IUPACN-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccc(F)c4nccnc34)cc2)CC1
InChIInChI=1S/C21H21FN4O/c1-26-12-8-15(9-13-26)14-2-4-16(5-3-14)21(27)25-18-7-6-17(22)19-20(18)24-11-10-23-19/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,27)
InChIKeyIDAOUCIAZFKARM-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.83
Rot. Bonds3

About N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide

N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 171471671) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
PubChem CID171471671
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccc(F)c4nccnc34)cc2)CC1
InChIInChI=1S/C21H21FN4O/c1-26-12-8-15(9-13-26)14-2-4-16(5-3-14)21(27)25-18-7-6-17(22)19-20(18)24-11-10-23-19/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,27)
InChIKeyIDAOUCIAZFKARM-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide (CID 171471671) is N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide is CN1CCC(c2ccc(C(=O)Nc3ccc(F)c4nccnc34)cc2)CC1.
What is the InChIKey of N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is IDAOUCIAZFKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26-12-8-15(9-13-26)14-2-4-16(5-3-14)21(27)25-18-7-6-17(22)19-20(18)24-11-10-23-19/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,27).
What are the key properties of N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide?
N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 171471671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).