(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C16H22N4O2 — CID 129478549

IUPAC(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(C)o1
InChIInChI=1S/C16H22N4O2/c1-11-9-13(12(2)22-11)16(21)20-8-7-18(3)14(10-20)15-17-5-6-19(15)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1
InChIKeyGLKPHZVGURIKBI-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.76
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 129478549) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID129478549
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(C)o1
InChIInChI=1S/C16H22N4O2/c1-11-9-13(12(2)22-11)16(21)20-8-7-18(3)14(10-20)15-17-5-6-19(15)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1
InChIKeyGLKPHZVGURIKBI-AWEZNQCLSA-N
XLogP1.76
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
3-methyl-4-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 129475849
(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128992767
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478491
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 129478549) is (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is GLKPHZVGURIKBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-9-13(12(2)22-11)16(21)20-8-7-18(3)14(10-20)15-17-5-6-19(15)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129478549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).