(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

C21H25N5O — CID 70714193

IUPAC(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3CCn3ccnc3)cc2nc1C
InChIInChI=1S/C21H25N5O/c1-15-16(2)24-20-13-17(6-7-19(20)23-15)21(27)26-10-4-3-5-18(26)8-11-25-12-9-22-14-25/h6-7,9,12-14,18H,3-5,8,10-11H2,1-2H3
InChIKeyHYLLUEJRHZZVHE-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.53
Rot. Bonds4

About (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 70714193) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID70714193
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3CCn3ccnc3)cc2nc1C
InChIInChI=1S/C21H25N5O/c1-15-16(2)24-20-13-17(6-7-19(20)23-15)21(27)26-10-4-3-5-18(26)8-11-25-12-9-22-14-25/h6-7,9,12-14,18H,3-5,8,10-11H2,1-2H3
InChIKeyHYLLUEJRHZZVHE-UHFFFAOYSA-N
XLogP3.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458
2-(4-acetylphenoxy)-1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96572781
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 70780587
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (CID 70714193) is (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCCCC3CCn3ccnc3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is HYLLUEJRHZZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-16(2)24-20-13-17(6-7-19(20)23-15)21(27)26-10-4-3-5-18(26)8-11-25-12-9-22-14-25/h6-7,9,12-14,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70714193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).