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

C15H24N4O2 — CID 129340377

IUPAC[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C15H24N4O2/c1-11-4-9-21-13(11)15(20)19-8-7-17(2)12(10-19)14-16-5-6-18(14)3/h5-6,11-13H,4,7-10H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyXFVLYGINABZGBI-AGIUHOORSA-N
MW292.38 g/mol
LogP0.66
Rot. Bonds2

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

[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone (PubChem CID 129340377) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
PubChem CID129340377
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C15H24N4O2/c1-11-4-9-21-13(11)15(20)19-8-7-17(2)12(10-19)14-16-5-6-18(14)3/h5-6,11-13H,4,7-10H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyXFVLYGINABZGBI-AGIUHOORSA-N
XLogP0.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129478630
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 129334404
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 129328750
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478491
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The IUPAC name of [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone (CID 129340377) is [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone.
What is the SMILES notation for [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The canonical SMILES for [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone is C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1.
What is the InChIKey of [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The InChIKey is XFVLYGINABZGBI-AGIUHOORSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-4-9-21-13(11)15(20)19-8-7-17(2)12(10-19)14-16-5-6-18(14)3/h5-6,11-13H,4,7-10H2,1-3H3/t11-,12+,13+/m1/s1.
What are the key properties of [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone is sourced from PubChem (CID 129340377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).