N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

C24H25F3N4O — CID 53052143

IUPACN-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1
InChIInChI=1S/C24H25F3N4O/c1-15(2)16-9-11-18(12-10-16)28-23(32)17-6-5-13-31(14-17)22-21(24(25,26)27)29-19-7-3-4-8-20(19)30-22/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,28,32)
InChIKeyHYZUIDJHDWZBSF-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.63
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 53052143) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
PubChem CID53052143
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1
InChIInChI=1S/C24H25F3N4O/c1-15(2)16-9-11-18(12-10-16)28-23(32)17-6-5-13-31(14-17)22-21(24(25,26)27)29-19-7-3-4-8-20(19)30-22/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,28,32)
InChIKeyHYZUIDJHDWZBSF-UHFFFAOYSA-N
XLogP5.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737
(3S)-N-(4-acetamidophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065217
(3R)-N-(4-ethylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063717
(3S)-N-(3-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065194
(3S)-N-(2-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065192
(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065205
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052128
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050500

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (CID 53052143) is N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The InChIKey is HYZUIDJHDWZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15(2)16-9-11-18(12-10-16)28-23(32)17-6-5-13-31(14-17)22-21(24(25,26)27)29-19-7-3-4-8-20(19)30-22/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,28,32).
What are the key properties of N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53052143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).