N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C22H21FN4O — CID 22580636

IUPACN-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C22H21FN4O/c23-16-5-3-6-17(15-16)24-21(28)26-13-10-22(11-14-26)20-9-4-12-27(20)19-8-2-1-7-18(19)25-22/h1-9,12,15,25H,10-11,13-14H2,(H,24,28)
InChIKeyWKWFXGSFOTZQDG-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.57
Rot. Bonds1

About N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 22580636) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID22580636
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C22H21FN4O/c23-16-5-3-6-17(15-16)24-21(28)26-13-10-22(11-14-26)20-9-4-12-27(20)19-8-2-1-7-18(19)25-22/h1-9,12,15,25H,10-11,13-14H2,(H,24,28)
InChIKeyWKWFXGSFOTZQDG-UHFFFAOYSA-N
XLogP4.57
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-{[4-(2-oxo-2,3-Dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile
CID 9957031
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 15646710
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-piperidin-1-ylmethanone
CID 10522389
3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10638502
N-ethyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10735588
N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10832597
(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 25207770
(8R)-N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 25234679
(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 25234753
1-(6-(4-Fluorophenyl)pyridin-3-yl)-3-(4-piperidin-1-ylbutyl)urea
CID 44240743
1-(6-(2-Fluorophenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611748
1-(1-((1-(pyridin-4-ylmethyl)piperidin-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864796

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 22580636) is N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is O=C(Nc1cccc(F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is WKWFXGSFOTZQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-16-5-3-6-17(15-16)24-21(28)26-13-10-22(11-14-26)20-9-4-12-27(20)19-8-2-1-7-18(19)25-22/h1-9,12,15,25H,10-11,13-14H2,(H,24,28).
What are the key properties of N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 22580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).