1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone

C18H20N2O4 — CID 6470283

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O4/c1-23-15-6-3-2-5-14(15)13-17(21)19-8-10-20(11-9-19)18(22)16-7-4-12-24-16/h2-7,12H,8-11,13H2,1H3
InChIKeyNCWMTKGFIVROCL-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.82
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 6470283) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID6470283
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N2O4/c1-23-15-6-3-2-5-14(15)13-17(21)19-8-10-20(11-9-19)18(22)16-7-4-12-24-16/h2-7,12H,8-11,13H2,1H3
InChIKeyNCWMTKGFIVROCL-UHFFFAOYSA-N
XLogP1.82
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 6470283) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is NCWMTKGFIVROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-6-3-2-5-14(15)13-17(21)19-8-10-20(11-9-19)18(22)16-7-4-12-24-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 328.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 6470283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).