furan-2-yl(piperazin-1-yl)methanone

C9H12N2O2 — CID 550206

IUPACfuran-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKeySADPINFEWFPMEA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.32
Rot. Bonds1

About furan-2-yl(piperazin-1-yl)methanone

furan-2-yl(piperazin-1-yl)methanone (PubChem CID 550206) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is furan-2-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(piperazin-1-yl)methanone
PubChem CID550206
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namefuran-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKeySADPINFEWFPMEA-UHFFFAOYSA-N
XLogP0.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl(piperazin-1-yl)methanone?
The IUPAC name of furan-2-yl(piperazin-1-yl)methanone (CID 550206) is furan-2-yl(piperazin-1-yl)methanone.
What is the SMILES notation for furan-2-yl(piperazin-1-yl)methanone?
The canonical SMILES for furan-2-yl(piperazin-1-yl)methanone is O=C(c1ccco1)N1CCNCC1.
What is the InChIKey of furan-2-yl(piperazin-1-yl)methanone?
The InChIKey is SADPINFEWFPMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2.
What are the key properties of furan-2-yl(piperazin-1-yl)methanone?
furan-2-yl(piperazin-1-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 550206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).