(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C20H27N3O — CID 40653046

IUPAC(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCCc1nc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2nc1CC
InChIInChI=1S/C20H27N3O/c1-5-16-17(6-2)22-19-10-15(7-8-18(19)21-16)20(24)23-11-13(3)9-14(4)12-23/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyWAZUFKWDCRAQDL-KBPBESRZSA-N
MW325.46 g/mol
LogP3.87
Rot. Bonds3

About (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 40653046) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID40653046
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCCc1nc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2nc1CC
InChIInChI=1S/C20H27N3O/c1-5-16-17(6-2)22-19-10-15(7-8-18(19)21-16)20(24)23-11-13(3)9-14(4)12-23/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyWAZUFKWDCRAQDL-KBPBESRZSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 30831100
(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone
CID 51957452
(2,3-diethylquinoxalin-6-yl)-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 139012120
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 40653046) is (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is CCc1nc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2nc1CC.
What is the InChIKey of (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is WAZUFKWDCRAQDL-KBPBESRZSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-16-17(6-2)22-19-10-15(7-8-18(19)21-16)20(24)23-11-13(3)9-14(4)12-23/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 325.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 40653046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).