2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone

C22H25F3N4O2 — CID 95819232

IUPAC2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)18-5-1-3-16(13-18)20-21(27-7-6-26-20)17-4-2-8-29(14-17)19(30)15-28-9-11-31-12-10-28/h1,3,5-7,13,17H,2,4,8-12,14-15H2/t17-/m0/s1
InChIKeyGGCSANSQVFIFMF-KRWDZBQOSA-N
MW434.46 g/mol
LogP3.20
Rot. Bonds4

About 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone

2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819232) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819232
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)18-5-1-3-16(13-18)20-21(27-7-6-26-20)17-4-2-8-29(14-17)19(30)15-28-9-11-31-12-10-28/h1,3,5-7,13,17H,2,4,8-12,14-15H2/t17-/m0/s1
InChIKeyGGCSANSQVFIFMF-KRWDZBQOSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
1-piperidin-1-yl-2-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819609
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
3-(4-fluorophenyl)-1-[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819418
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819232) is 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GGCSANSQVFIFMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)18-5-1-3-16(13-18)20-21(27-7-6-26-20)17-4-2-8-29(14-17)19(30)15-28-9-11-31-12-10-28/h1,3,5-7,13,17H,2,4,8-12,14-15H2/t17-/m0/s1.
What are the key properties of 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 434.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).