[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

C19H21FN4O2 — CID 56700773

IUPAC[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESNCC1Cc2cc(-c3cncc(C(=O)N4CCCCC4)n3)cc(F)c2O1
InChIInChI=1S/C19H21FN4O2/c20-15-8-12(6-13-7-14(9-21)26-18(13)15)16-10-22-11-17(23-16)19(25)24-4-2-1-3-5-24/h6,8,10-11,14H,1-5,7,9,21H2
InChIKeyYJEFNQNKCITLLX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.17
Rot. Bonds3

About [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 56700773) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID56700773
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESNCC1Cc2cc(-c3cncc(C(=O)N4CCCCC4)n3)cc(F)c2O1
InChIInChI=1S/C19H21FN4O2/c20-15-8-12(6-13-7-14(9-21)26-18(13)15)16-10-22-11-17(23-16)19(25)24-4-2-1-3-5-24/h6,8,10-11,14H,1-5,7,9,21H2
InChIKeyYJEFNQNKCITLLX-UHFFFAOYSA-N
XLogP2.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 56700773) is [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is NCC1Cc2cc(-c3cncc(C(=O)N4CCCCC4)n3)cc(F)c2O1.
What is the InChIKey of [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is YJEFNQNKCITLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-8-12(6-13-7-14(9-21)26-18(13)15)16-10-22-11-17(23-16)19(25)24-4-2-1-3-5-24/h6,8,10-11,14H,1-5,7,9,21H2.
What are the key properties of [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 356.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(aminomethyl)-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56700773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).