1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone

C14H16N2O2 — CID 937120

IUPAC1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C14H16N2O2/c1-15-6-8-16(9-7-15)14(17)13-10-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3
InChIKeyQMBLWECQKYCCTF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds1

About 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone

1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 937120) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID937120
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C14H16N2O2/c1-15-6-8-16(9-7-15)14(17)13-10-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3
InChIKeyQMBLWECQKYCCTF-UHFFFAOYSA-N
XLogP1.82
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone (CID 937120) is 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QMBLWECQKYCCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-6-8-16(9-7-15)14(17)13-10-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone?
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 937120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).