3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one

C14H18N2O4 — CID 47131799

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CCN(C(=O)c3ccco3)CC2)C(=O)O1
InChIInChI=1S/C14H18N2O4/c1-10-9-11(14(18)20-10)15-4-6-16(7-5-15)13(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyOXMONZRJBLKCCO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds2

About 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one

3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one (PubChem CID 47131799) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
PubChem CID47131799
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CCN(C(=O)c3ccco3)CC2)C(=O)O1
InChIInChI=1S/C14H18N2O4/c1-10-9-11(14(18)20-10)15-4-6-16(7-5-15)13(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyOXMONZRJBLKCCO-UHFFFAOYSA-N
XLogP0.74
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111167061
(1R,3R,6R,7R,9S)-9-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 23605804

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one (CID 47131799) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one is CC1CC(N2CCN(C(=O)c3ccco3)CC2)C(=O)O1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one?
The InChIKey is OXMONZRJBLKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-9-11(14(18)20-10)15-4-6-16(7-5-15)13(17)12-3-2-8-19-12/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 47131799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).