1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone

C13H18N2O3 — CID 2101213

IUPAC1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C13H18N2O3/c1-9-8-12(10(2)18-9)13(17)15-6-4-14(5-7-15)11(3)16/h8H,4-7H2,1-3H3
InChIKeyULGSXGCOARNSQV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.20
Rot. Bonds1

About 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 2101213) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID2101213
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C13H18N2O3/c1-9-8-12(10(2)18-9)13(17)15-6-4-14(5-7-15)11(3)16/h8H,4-7H2,1-3H3
InChIKeyULGSXGCOARNSQV-UHFFFAOYSA-N
XLogP1.20
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 136513320
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
(2S)-2-amino-1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119740241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone (CID 2101213) is 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ULGSXGCOARNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-12(10(2)18-9)13(17)15-6-4-14(5-7-15)11(3)16/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2101213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).