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

C18H20N2O4 — CID 750514

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-14-4-6-15(7-5-14)24-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3
InChIKeyDEHHBRYUKWMRHK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds4

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

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 750514) 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-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID750514
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-14-4-6-15(7-5-14)24-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3
InChIKeyDEHHBRYUKWMRHK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CID 750514) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is DEHHBRYUKWMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-14-4-6-15(7-5-14)24-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 328.37 g/mol, XLogP of 1.95, 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-(4-methylphenoxy)ethanone is sourced from PubChem (CID 750514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).