(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione

C10H12N2O3 — CID 53305744

IUPAC(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C10H12N2O3/c1-7-10(14)11-5-9(13)12(7)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H,11,14)/t7-/m1/s1
InChIKeyCPGHSTKRBAZBCH-SSDOTTSWSA-N
MW208.22 g/mol
LogP0.13
Rot. Bonds2

About (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione

(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione (PubChem CID 53305744) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
PubChem CID53305744
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C10H12N2O3/c1-7-10(14)11-5-9(13)12(7)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H,11,14)/t7-/m1/s1
InChIKeyCPGHSTKRBAZBCH-SSDOTTSWSA-N
XLogP0.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione (CID 53305744) is (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione is C[C@@H]1C(=O)NCC(=O)N1Cc1ccco1.
What is the InChIKey of (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is CPGHSTKRBAZBCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-10(14)11-5-9(13)12(7)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H,11,14)/t7-/m1/s1.
What are the key properties of (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 53305744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).