(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone

C19H25N3O2 — CID 136549756

IUPAC(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2nc1C
InChIInChI=1S/C19H25N3O2/c1-12(2)24-16-6-5-9-22(11-16)19(23)15-7-8-17-18(10-15)21-14(4)13(3)20-17/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyXYXNCUPXERULDG-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.28
Rot. Bonds3

About (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone

(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 136549756) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID136549756
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2nc1C
InChIInChI=1S/C19H25N3O2/c1-12(2)24-16-6-5-9-22(11-16)19(23)15-7-8-17-18(10-15)21-14(4)13(3)20-17/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyXYXNCUPXERULDG-UHFFFAOYSA-N
XLogP3.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 138003180
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone (CID 136549756) is (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone is Cc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is XYXNCUPXERULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)24-16-6-5-9-22(11-16)19(23)15-7-8-17-18(10-15)21-14(4)13(3)20-17/h7-8,10,12,16H,5-6,9,11H2,1-4H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 136549756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).