[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

C20H23N5O — CID 95343896

IUPAC[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C20H23N5O/c1-14(2)19-21-9-11-25(19)15-6-5-10-24(13-15)20(26)18-12-22-16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3/t15-/m1/s1
InChIKeyIZQJYLPUCNYLCU-OAHLLOKOSA-N
MW349.44 g/mol
LogP3.43
Rot. Bonds3

About [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 95343896) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID95343896
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C20H23N5O/c1-14(2)19-21-9-11-25(19)15-6-5-10-24(13-15)20(26)18-12-22-16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3/t15-/m1/s1
InChIKeyIZQJYLPUCNYLCU-OAHLLOKOSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95337039
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 95343896) is [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1.
What is the InChIKey of [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is IZQJYLPUCNYLCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)19-21-9-11-25(19)15-6-5-10-24(13-15)20(26)18-12-22-16-7-3-4-8-17(16)23-18/h3-4,7-9,11-12,14-15H,5-6,10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 349.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 95343896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).