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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Related Compounds

4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
N-[6-(2-fluoro-4-methylanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208887
N-[6-(2-fluoro-4-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208882
N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208863
6-(1-methylpiperidin-4-yl)-N-quinolin-8-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164924688
N-(4-chloro-2-pyridinyl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide
CID 118901256
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
tert-butyl 6-(4-chloro-2-fluoroanilino)-3-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]indazole-1-carboxylate
CID 162773518
3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
CID 117368627
N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208901
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483

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).