[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

C19H21N5O — CID 95346427

IUPAC[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C19H21N5O/c1-13-10-14(2)24(22-13)15-6-5-9-23(12-15)19(25)18-11-20-16-7-3-4-8-17(16)21-18/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyIGHXANGXQCNUEJ-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.92
Rot. Bonds2

About [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 95346427) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID95346427
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C19H21N5O/c1-13-10-14(2)24(22-13)15-6-5-9-23(12-15)19(25)18-11-20-16-7-3-4-8-17(16)21-18/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyIGHXANGXQCNUEJ-HNNXBMFYSA-N
XLogP2.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286595
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95348926
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
[6-(cyclopropylamino)-3-pyridinyl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95344948
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 95346427) is [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is Cc1cc(C)n([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1.
What is the InChIKey of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is IGHXANGXQCNUEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-14(2)24(22-13)15-6-5-9-23(12-15)19(25)18-11-20-16-7-3-4-8-17(16)21-18/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 95346427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).