1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one

C21H24N4O3 — CID 148679772

IUPAC1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3nn2)CC1
InChIInChI=1S/C21H24N4O3/c1-14-22-12-21(28-14)15-3-4-20-16(9-15)10-17(23-24-20)11-18(26)13-25-7-5-19(27-2)6-8-25/h3-4,9-10,12,19H,5-8,11,13H2,1-2H3
InChIKeyNRJAJFQWDMUMCN-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one

1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one (PubChem CID 148679772) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
PubChem CID148679772
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3nn2)CC1
InChIInChI=1S/C21H24N4O3/c1-14-22-12-21(28-14)15-3-4-20-16(9-15)10-17(23-24-20)11-18(26)13-25-7-5-19(27-2)6-8-25/h3-4,9-10,12,19H,5-8,11,13H2,1-2H3
InChIKeyNRJAJFQWDMUMCN-UHFFFAOYSA-N
XLogP2.82
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one (CID 148679772) is 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one is COC1CCN(CC(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3nn2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one?
The InChIKey is NRJAJFQWDMUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-22-12-21(28-14)15-3-4-20-16(9-15)10-17(23-24-20)11-18(26)13-25-7-5-19(27-2)6-8-25/h3-4,9-10,12,19H,5-8,11,13H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one?
1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one has a molecular weight of 380.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one is sourced from PubChem (CID 148679772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).