2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine

C21H24F3N3 — CID 95818569

IUPAC2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C21H24F3N3/c22-21(23,24)17-7-3-5-15(13-17)19-20(26-11-10-25-19)16-6-4-12-27(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2/t16-/m0/s1
InChIKeyHZYZHIUCWCPYOW-INIZCTEOSA-N
MW375.44 g/mol
LogP5.28
Rot. Bonds3

About 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine

2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine (PubChem CID 95818569) has the molecular formula C21H24F3N3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
PubChem CID95818569
Molecular FormulaC21H24F3N3
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C21H24F3N3/c22-21(23,24)17-7-3-5-15(13-17)19-20(26-11-10-25-19)16-6-4-12-27(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2/t16-/m0/s1
InChIKeyHZYZHIUCWCPYOW-INIZCTEOSA-N
XLogP5.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819232
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
CID 110110158
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95819446
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
CID 95819373
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine (CID 95818569) is 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1.
What is the InChIKey of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is HZYZHIUCWCPYOW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24F3N3/c22-21(23,24)17-7-3-5-15(13-17)19-20(26-11-10-25-19)16-6-4-12-27(14-16)18-8-1-2-9-18/h3,5,7,10-11,13,16,18H,1-2,4,6,8-9,12,14H2/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine?
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 375.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 95818569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).