4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one

C13H18N2O4 — CID 45197759

IUPAC4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2ccco2)C1CCO
InChIInChI=1S/C13H18N2O4/c16-8-5-11-13(18)14-6-7-15(11)12(17)4-3-10-2-1-9-19-10/h1-2,9,11,16H,3-8H2,(H,14,18)
InChIKeyRDTCCOIACQRTSX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.08
Rot. Bonds5

About 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one

4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one (PubChem CID 45197759) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one
PubChem CID45197759
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2ccco2)C1CCO
InChIInChI=1S/C13H18N2O4/c16-8-5-11-13(18)14-6-7-15(11)12(17)4-3-10-2-1-9-19-10/h1-2,9,11,16H,3-8H2,(H,14,18)
InChIKeyRDTCCOIACQRTSX-UHFFFAOYSA-N
XLogP-0.08
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one (CID 45197759) is 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one is O=C1NCCN(C(=O)CCc2ccco2)C1CCO.
What is the InChIKey of 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is RDTCCOIACQRTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-8-5-11-13(18)14-6-7-15(11)12(17)4-3-10-2-1-9-19-10/h1-2,9,11,16H,3-8H2,(H,14,18).
What are the key properties of 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one?
4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 266.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 45197759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).