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

C19H23FN4O2 — CID 95823273

IUPAC2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(c2nccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-11-7-13(8-12-24)16-17(23-10-9-22-16)26-15-6-4-3-5-14(15)20/h3-6,9-10,13H,7-8,11-12,21H2,1-2H3
InChIKeyAKQGPDHHFWVUPG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.85
Rot. Bonds4

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

2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 95823273) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID95823273
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(c2nccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-11-7-13(8-12-24)16-17(23-10-9-22-16)26-15-6-4-3-5-14(15)20/h3-6,9-10,13H,7-8,11-12,21H2,1-2H3
InChIKeyAKQGPDHHFWVUPG-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 95823273) is 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC(c2nccnc2Oc2ccccc2F)CC1.
What is the InChIKey of 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AKQGPDHHFWVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,21)18(25)24-11-7-13(8-12-24)16-17(23-10-9-22-16)26-15-6-4-3-5-14(15)20/h3-6,9-10,13H,7-8,11-12,21H2,1-2H3.
What are the key properties of 2-amino-1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[3-(2-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-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).