2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one

C19H23FN4O2 — CID 95823255

IUPAC2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-10-6-13(7-11-24)16-17(23-9-8-22-16)26-15-5-3-4-14(20)12-15/h3-5,8-9,12-13H,6-7,10-11,21H2,1-2H3
InChIKeyUJQVBJOZHKKHIO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 95823255) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID95823255
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-10-6-13(7-11-24)16-17(23-9-8-22-16)26-15-5-3-4-14(20)12-15/h3-5,8-9,12-13H,6-7,10-11,21H2,1-2H3
InChIKeyUJQVBJOZHKKHIO-UHFFFAOYSA-N
XLogP2.85
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110149967
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
CID 95823060
[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 110150700
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110149957
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 95823255) is 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is UJQVBJOZHKKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-10-6-13(7-11-24)16-17(23-9-8-22-16)26-15-5-3-4-14(20)12-15/h3-5,8-9,12-13H,6-7,10-11,21H2,1-2H3.
What are the key properties of 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 358.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95823255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).