[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate

C18H18N2O5 — CID 3324536

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C18H18N2O5/c21-16(13-25-18(23)14-5-2-1-3-6-14)19-8-10-20(11-9-19)17(22)15-7-4-12-24-15/h1-7,12H,8-11,13H2
InChIKeyWYSMKNYEDRGVSF-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.42
Rot. Bonds4

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate (PubChem CID 3324536) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate
PubChem CID3324536
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C18H18N2O5/c21-16(13-25-18(23)14-5-2-1-3-6-14)19-8-10-20(11-9-19)17(22)15-7-4-12-24-15/h1-7,12H,8-11,13H2
InChIKeyWYSMKNYEDRGVSF-UHFFFAOYSA-N
XLogP1.42
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate (CID 3324536) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate?
The InChIKey is WYSMKNYEDRGVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-16(13-25-18(23)14-5-2-1-3-6-14)19-8-10-20(11-9-19)17(22)15-7-4-12-24-15/h1-7,12H,8-11,13H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate has a molecular weight of 342.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] benzoate is sourced from PubChem (CID 3324536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).