(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone

C16H23N3O — CID 116656081

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(C)c3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-13-6-5-9-18(12-13)16(20)19-11-10-17(2)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyHQLPYYCVONQBLQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 116656081) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID116656081
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(C)c3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-13-6-5-9-18(12-13)16(20)19-11-10-17(2)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyHQLPYYCVONQBLQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 114337478
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 115581852
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylimidazol-3-ium-1-yl)methanone iodide
CID 63777859
1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 47335819
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone (CID 116656081) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCN(C)c3ccccc32)C1.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HQLPYYCVONQBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-6-5-9-18(12-13)16(20)19-11-10-17(2)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 116656081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).