1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone

C22H24N4O3 — CID 161053437

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone
SMILESCOc1cnc(-c2ccccc2)c2ncc(CC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C22H24N4O3/c1-22(28)8-10-26(11-9-22)18(27)12-16-13-23-21-19(15-6-4-3-5-7-15)24-14-17(29-2)20(21)25-16/h3-7,13-14,28H,8-12H2,1-2H3
InChIKeyUCLAMYGDQVQLQA-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone (PubChem CID 161053437) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone
PubChem CID161053437
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone
SMILESCOc1cnc(-c2ccccc2)c2ncc(CC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C22H24N4O3/c1-22(28)8-10-26(11-9-22)18(27)12-16-13-23-21-19(15-6-4-3-5-7-15)24-14-17(29-2)20(21)25-16/h3-7,13-14,28H,8-12H2,1-2H3
InChIKeyUCLAMYGDQVQLQA-UHFFFAOYSA-N
XLogP2.62
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone (CID 161053437) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone is COc1cnc(-c2ccccc2)c2ncc(CC(=O)N3CCC(C)(O)CC3)nc12.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone?
The InChIKey is UCLAMYGDQVQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(28)8-10-26(11-9-22)18(27)12-16-13-23-21-19(15-6-4-3-5-7-15)24-14-17(29-2)20(21)25-16/h3-7,13-14,28H,8-12H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone has a molecular weight of 392.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(8-methoxy-5-phenylpyrido[3,4-b]pyrazin-2-yl)ethanone is sourced from PubChem (CID 161053437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).