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

C19H21ClN4O2 — CID 56711637

IUPAC[6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESNCC1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1
InChIInChI=1S/C19H21ClN4O2/c20-13-6-12-7-14(9-21)26-18(12)15(8-13)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
InChIKeyODGPOTUAKZFXCW-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.69
Rot. Bonds3

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

[6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 56711637) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID56711637
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name[6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESNCC1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1
InChIInChI=1S/C19H21ClN4O2/c20-13-6-12-7-14(9-21)26-18(12)15(8-13)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
InChIKeyODGPOTUAKZFXCW-UHFFFAOYSA-N
XLogP2.69
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 56711637) is [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is NCC1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1.
What is the InChIKey of [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ODGPOTUAKZFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-13-6-12-7-14(9-21)26-18(12)15(8-13)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)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 372.86 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56711637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).