(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

C12H18N2O2 — CID 82705081

IUPAC(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNC[C@H]2C)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-8-7-13-4-5-14(8)12(15)11-6-9(2)16-10(11)3/h6,8,13H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyADDXVZQHMMPDGC-MRVPVSSYSA-N
MW222.29 g/mol
LogP1.33
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705081) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82705081
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNC[C@H]2C)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-8-7-13-4-5-14(8)12(15)11-6-9(2)16-10(11)3/h6,8,13H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyADDXVZQHMMPDGC-MRVPVSSYSA-N
XLogP1.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036
(2-bromo-5-methylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755048
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866744
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82705081) is (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCNC[C@H]2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is ADDXVZQHMMPDGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-7-13-4-5-14(8)12(15)11-6-9(2)16-10(11)3/h6,8,13H,4-5,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 222.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).