(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

C11H16N2O2 — CID 82704923

IUPAC(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNC[C@@H]2C)o1
InChIInChI=1S/C11H16N2O2/c1-8-7-12-5-6-13(8)11(14)10-4-3-9(2)15-10/h3-4,8,12H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXVJYSOJNFSEDAB-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds1

About (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82704923) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82704923
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNC[C@@H]2C)o1
InChIInChI=1S/C11H16N2O2/c1-8-7-12-5-6-13(8)11(14)10-4-3-9(2)15-10/h3-4,8,12H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXVJYSOJNFSEDAB-QMMMGPOBSA-N
XLogP1.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82704923) is (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCNC[C@@H]2C)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is XVJYSOJNFSEDAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-12-5-6-13(8)11(14)10-4-3-9(2)15-10/h3-4,8,12H,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 208.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82704923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).