4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one

C12H16N2O3 — CID 110708964

IUPAC4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccco2)CC1=O
InChIInChI=1S/C12H16N2O3/c1-9(2)14-6-5-13(8-11(14)15)12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVINXVHGUOGPERC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.97
Rot. Bonds2

About 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one

4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 110708964) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
PubChem CID110708964
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccco2)CC1=O
InChIInChI=1S/C12H16N2O3/c1-9(2)14-6-5-13(8-11(14)15)12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVINXVHGUOGPERC-UHFFFAOYSA-N
XLogP0.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110741317
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one
CID 134161622
furan-2-yl-(3-methylidenepyrrolidin-1-yl)methanone
CID 164652046
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110741309
1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110709011
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one (CID 110708964) is 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)c2ccco2)CC1=O.
What is the InChIKey of 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is VINXVHGUOGPERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(2)14-6-5-13(8-11(14)15)12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one?
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).