(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

C21H18F4N4O — CID 93065205

IUPAC(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1
InChIInChI=1S/C21H18F4N4O/c22-14-6-3-7-15(11-14)26-20(30)13-5-4-10-29(12-13)19-18(21(23,24)25)27-16-8-1-2-9-17(16)28-19/h1-3,6-9,11,13H,4-5,10,12H2,(H,26,30)/t13-/m1/s1
InChIKeyANQVGCYYWQNVRP-CYBMUJFWSA-N
MW418.39 g/mol
LogP4.64
Rot. Bonds3

About (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 93065205) has the molecular formula C21H18F4N4O and a molecular weight of 418.39 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
PubChem CID93065205
Molecular FormulaC21H18F4N4O
Molecular Weight418.39 g/mol
Exact Mass418.14
IUPAC Name(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1
InChIInChI=1S/C21H18F4N4O/c22-14-6-3-7-15(11-14)26-20(30)13-5-4-10-29(12-13)19-18(21(23,24)25)27-16-8-1-2-9-17(16)28-19/h1-3,6-9,11,13H,4-5,10,12H2,(H,26,30)/t13-/m1/s1
InChIKeyANQVGCYYWQNVRP-CYBMUJFWSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065194
(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
N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052143
(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737
(3S)-N-(2-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065192
N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052128
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (CID 93065205) is (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
The InChIKey is ANQVGCYYWQNVRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18F4N4O/c22-14-6-3-7-15(11-14)26-20(30)13-5-4-10-29(12-13)19-18(21(23,24)25)27-16-8-1-2-9-17(16)28-19/h1-3,6-9,11,13H,4-5,10,12H2,(H,26,30)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?
(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 418.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93065205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).