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

C10H12N2O3 — CID 53305743

IUPAC(6S)-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-/m0/s1
InChIKeyCPGHSTKRBAZBCH-ZETCQYMHSA-N
MW208.22 g/mol
LogP0.13
Rot. Bonds2

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

(6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione (PubChem CID 53305743) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
PubChem CID53305743
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(6S)-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-/m0/s1
InChIKeyCPGHSTKRBAZBCH-ZETCQYMHSA-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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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
2-(Furan-2-yl)piperidine
CID 4715025
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-(2-Furoyl)glycine methyl ester
CID 518748
N-Methylfurfurylamine
CID 78492
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione (CID 53305743) is (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione is C[C@H]1C(=O)NCC(=O)N1Cc1ccco1.
What is the InChIKey of (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is CPGHSTKRBAZBCH-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione?
(6S)-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 (6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 53305743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).