1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one

C12H16N2O3 — CID 162624849

IUPAC1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccc(C)o2)C(=O)C1
InChIInChI=1S/C12H16N2O3/c1-3-10(15)13-6-7-14(11(16)8-13)12-5-4-9(2)17-12/h4-5H,3,6-8H2,1-2H3
InChIKeyYBMSFRNYKMBCKR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.17
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one

1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one (PubChem CID 162624849) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one
PubChem CID162624849
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccc(C)o2)C(=O)C1
InChIInChI=1S/C12H16N2O3/c1-3-10(15)13-6-7-14(11(16)8-13)12-5-4-9(2)17-12/h4-5H,3,6-8H2,1-2H3
InChIKeyYBMSFRNYKMBCKR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one?
The IUPAC name of 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one (CID 162624849) is 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one is CCC(=O)N1CCN(c2ccc(C)o2)C(=O)C1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one?
The InChIKey is YBMSFRNYKMBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-10(15)13-6-7-14(11(16)8-13)12-5-4-9(2)17-12/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one?
1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-4-propanoylpiperazin-2-one is sourced from PubChem (CID 162624849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).