(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C21H24N4O2 — CID 24817845

IUPAC(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1
InChIInChI=1S/C21H24N4O2/c1-3-4-16-5-6-18-17(13-16)15(2)20(27-18)21(26)25-11-9-24(10-12-25)19-14-22-7-8-23-19/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyPMJUVKXYDGJRQL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.45
Rot. Bonds4

About (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 24817845) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID24817845
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1
InChIInChI=1S/C21H24N4O2/c1-3-4-16-5-6-18-17(13-16)15(2)20(27-18)21(26)25-11-9-24(10-12-25)19-14-22-7-8-23-19/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyPMJUVKXYDGJRQL-UHFFFAOYSA-N
XLogP3.45
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 24817845) is (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCCc1ccc2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1.
What is the InChIKey of (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PMJUVKXYDGJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-4-16-5-6-18-17(13-16)15(2)20(27-18)21(26)25-11-9-24(10-12-25)19-14-22-7-8-23-19/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24817845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).