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

C13H18N2O3 — CID 53306724

IUPAC(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C13H18N2O3/c1-9(2)6-11-13(17)14-7-12(16)15(11)8-10-4-3-5-18-10/h3-5,9,11H,6-8H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyNCVKKWLGYFWHOZ-NSHDSACASA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds4

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

(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 53306724) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID53306724
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C13H18N2O3/c1-9(2)6-11-13(17)14-7-12(16)15(11)8-10-4-3-5-18-10/h3-5,9,11H,6-8H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyNCVKKWLGYFWHOZ-NSHDSACASA-N
XLogP1.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 53306724) is (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)C[C@H]1C(=O)NCC(=O)N1Cc1ccco1.
What is the InChIKey of (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is NCVKKWLGYFWHOZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)6-11-13(17)14-7-12(16)15(11)8-10-4-3-5-18-10/h3-5,9,11H,6-8H2,1-2H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 1.15, 4 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-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 53306724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).