4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one

C16H16N2O4 — CID 35795456

IUPAC4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2occc2COc2ccccc2)CCN1
InChIInChI=1S/C16H16N2O4/c19-14-10-18(8-7-17-14)16(20)15-12(6-9-21-15)11-22-13-4-2-1-3-5-13/h1-6,9H,7-8,10-11H2,(H,17,19)
InChIKeyZRVOJUBMLSAHEM-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.43
Rot. Bonds4

About 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one

4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one (PubChem CID 35795456) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
PubChem CID35795456
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2occc2COc2ccccc2)CCN1
InChIInChI=1S/C16H16N2O4/c19-14-10-18(8-7-17-14)16(20)15-12(6-9-21-15)11-22-13-4-2-1-3-5-13/h1-6,9H,7-8,10-11H2,(H,17,19)
InChIKeyZRVOJUBMLSAHEM-UHFFFAOYSA-N
XLogP1.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one (CID 35795456) is 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2occc2COc2ccccc2)CCN1.
What is the InChIKey of 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one?
The InChIKey is ZRVOJUBMLSAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14-10-18(8-7-17-14)16(20)15-12(6-9-21-15)11-22-13-4-2-1-3-5-13/h1-6,9H,7-8,10-11H2,(H,17,19).
What are the key properties of 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one?
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one has a molecular weight of 300.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 35795456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).