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

C23H21F3N4O — CID 46357458

IUPACN-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)16-5-3-6-17(15-16)27-21(31)29-13-10-22(11-14-29)20-9-4-12-30(20)19-8-2-1-7-18(19)28-22/h1-9,12,15,28H,10-11,13-14H2,(H,27,31)
InChIKeyQQIAAOBRRCBJPV-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.44
Rot. Bonds1

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

N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357458) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357458
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)16-5-3-6-17(15-16)27-21(31)29-13-10-22(11-14-29)20-9-4-12-30(20)19-8-2-1-7-18(19)28-22/h1-9,12,15,28H,10-11,13-14H2,(H,27,31)
InChIKeyQQIAAOBRRCBJPV-UHFFFAOYSA-N
XLogP5.44
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
N-(3,4-dimethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580698
7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580715
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357499
N-(furan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357464
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone
CID 16672195
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357458) is N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is QQIAAOBRRCBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-23(25,26)16-5-3-6-17(15-16)27-21(31)29-13-10-22(11-14-29)20-9-4-12-30(20)19-8-2-1-7-18(19)28-22/h1-9,12,15,28H,10-11,13-14H2,(H,27,31).
What are the key properties of N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 5.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).