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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Related Compounds

(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 30898695
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-2-one
CID 25482936

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).