1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone

C18H21FN4O2 — CID 95823494

IUPAC1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H21FN4O2/c1-20-12-16(24)23-9-5-13(6-10-23)17-18(22-8-7-21-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13,20H,5-6,9-10,12H2,1H3
InChIKeyJYFNPPZHKIGXQA-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.33
Rot. Bonds5

About 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone

1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 95823494) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID95823494
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H21FN4O2/c1-20-12-16(24)23-9-5-13(6-10-23)17-18(22-8-7-21-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13,20H,5-6,9-10,12H2,1H3
InChIKeyJYFNPPZHKIGXQA-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone (CID 95823494) is 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is JYFNPPZHKIGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-20-12-16(24)23-9-5-13(6-10-23)17-18(22-8-7-21-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13,20H,5-6,9-10,12H2,1H3.
What are the key properties of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 95823494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).