1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one

C25H26FN3O — CID 95820069

IUPAC1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C25H26FN3O/c26-22-10-5-9-21(16-22)24-18-27-17-23(28-24)20-12-14-29(15-13-20)25(30)11-4-8-19-6-2-1-3-7-19/h1-3,5-7,9-10,16-18,20H,4,8,11-15H2
InChIKeyOZNJUSCCRCDPDE-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.01
Rot. Bonds6

About 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one

1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 95820069) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID95820069
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C25H26FN3O/c26-22-10-5-9-21(16-22)24-18-27-17-23(28-24)20-12-14-29(15-13-20)25(30)11-4-8-19-6-2-1-3-7-19/h1-3,5-7,9-10,16-18,20H,4,8,11-15H2
InChIKeyOZNJUSCCRCDPDE-UHFFFAOYSA-N
XLogP5.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819712
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819548
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
2-(3-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyrazine
CID 95819598
3-(3-fluorophenyl)-1-[4-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92610491
2-phenyl-1-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819693
3-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazin-2-yl]benzoic acid
CID 175660609
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one (CID 95820069) is 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is OZNJUSCCRCDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-22-10-5-9-21(16-22)24-18-27-17-23(28-24)20-12-14-29(15-13-20)25(30)11-4-8-19-6-2-1-3-7-19/h1-3,5-7,9-10,16-18,20H,4,8,11-15H2.
What are the key properties of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one?
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 403.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 95820069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).