(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

C13H14N4O3 — CID 53304362

IUPAC(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1cnc[nH]1
InChIInChI=1S/C13H14N4O3/c18-12-6-15-13(19)11(4-9-5-14-8-16-9)17(12)7-10-2-1-3-20-10/h1-3,5,8,11H,4,6-7H2,(H,14,16)(H,15,19)/t11-/m1/s1
InChIKeyABPPYAZEPZFAHT-LLVKDONJSA-N
MW274.28 g/mol
LogP0.07
Rot. Bonds4

About (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 53304362) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID53304362
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1cnc[nH]1
InChIInChI=1S/C13H14N4O3/c18-12-6-15-13(19)11(4-9-5-14-8-16-9)17(12)7-10-2-1-3-20-10/h1-3,5,8,11H,4,6-7H2,(H,14,16)(H,15,19)/t11-/m1/s1
InChIKeyABPPYAZEPZFAHT-LLVKDONJSA-N
XLogP0.07
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione (CID 53304362) is (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione is O=C1NCC(=O)N(Cc2ccco2)[C@@H]1Cc1cnc[nH]1.
What is the InChIKey of (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is ABPPYAZEPZFAHT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12-6-15-13(19)11(4-9-5-14-8-16-9)17(12)7-10-2-1-3-20-10/h1-3,5,8,11H,4,6-7H2,(H,14,16)(H,15,19)/t11-/m1/s1.
What are the key properties of (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 274.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 53304362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).