(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C22H24N4O2 — CID 56759952

IUPAC(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O2/c1-14-4-7-20(23-13-14)22(28)8-10-26(11-9-22)21(27)17-5-6-18-19(12-17)25-16(3)15(2)24-18/h4-7,12-13,28H,8-11H2,1-3H3
InChIKeyODZHPAMIHXWKJG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds2

About (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 56759952) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID56759952
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)nc1
InChIInChI=1S/C22H24N4O2/c1-14-4-7-20(23-13-14)22(28)8-10-26(11-9-22)21(27)17-5-6-18-19(12-17)25-16(3)15(2)24-18/h4-7,12-13,28H,8-11H2,1-3H3
InChIKeyODZHPAMIHXWKJG-UHFFFAOYSA-N
XLogP3.07
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 56759952) is (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)nc1.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is ODZHPAMIHXWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-4-7-20(23-13-14)22(28)8-10-26(11-9-22)21(27)17-5-6-18-19(12-17)25-16(3)15(2)24-18/h4-7,12-13,28H,8-11H2,1-3H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56759952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).