1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone

C19H20N2O4 — CID 170861100

IUPAC1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(-c3ccc(-c4ccco4)o3)o2)CC1
InChIInChI=1S/C19H20N2O4/c1-20-8-10-21(11-9-20)13-14(22)15-4-5-18(24-15)19-7-6-17(25-19)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3
InChIKeySTKKJJCVQMYCRX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.23
Rot. Bonds5

About 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861100) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861100
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(-c3ccc(-c4ccco4)o3)o2)CC1
InChIInChI=1S/C19H20N2O4/c1-20-8-10-21(11-9-20)13-14(22)15-4-5-18(24-15)19-7-6-17(25-19)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3
InChIKeySTKKJJCVQMYCRX-UHFFFAOYSA-N
XLogP3.23
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861100) is 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2ccc(-c3ccc(-c4ccco4)o3)o2)CC1.
What is the InChIKey of 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is STKKJJCVQMYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-20-8-10-21(11-9-20)13-14(22)15-4-5-18(24-15)19-7-6-17(25-19)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 340.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).