(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone

C18H23N3O — CID 51711835

IUPAC(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H23N3O/c1-4-15-7-5-6-10-21(15)18(22)14-8-9-16-17(11-14)20-13(3)12(2)19-16/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyKSWVEROMHHQTCW-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.65
Rot. Bonds2

About (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone (PubChem CID 51711835) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
PubChem CID51711835
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H23N3O/c1-4-15-7-5-6-10-21(15)18(22)14-8-9-16-17(11-14)20-13(3)12(2)19-16/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyKSWVEROMHHQTCW-OAHLLOKOSA-N
XLogP3.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone (CID 51711835) is (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCCN1C(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is KSWVEROMHHQTCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-15-7-5-6-10-21(15)18(22)14-8-9-16-17(11-14)20-13(3)12(2)19-16/h8-9,11,15H,4-7,10H2,1-3H3/t15-/m1/s1.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 51711835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).