1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one

C20H24N6O2 — CID 148782259

IUPAC1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cn(C)nn4)cnc3cn2)CC1
InChIInChI=1S/C20H24N6O2/c1-25-13-20(23-24-25)15-7-14-8-16(21-11-19(14)22-10-15)9-17(27)12-26-5-3-18(28-2)4-6-26/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3
InChIKeyOKNNIONPPMEQLC-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one

1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one (PubChem CID 148782259) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
PubChem CID148782259
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cn(C)nn4)cnc3cn2)CC1
InChIInChI=1S/C20H24N6O2/c1-25-13-20(23-24-25)15-7-14-8-16(21-11-19(14)22-10-15)9-17(27)12-26-5-3-18(28-2)4-6-26/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3
InChIKeyOKNNIONPPMEQLC-UHFFFAOYSA-N
XLogP1.65
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 162116622
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
CID 148679772
1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
CID 158867553
1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
CID 160947162
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148801769
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 160614109
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
2,2,3,3-tetramethyl-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]cyclopropane-1-carboxamide
CID 138590781
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one (CID 148782259) is 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one is COC1CCN(CC(=O)Cc2cc3cc(-c4cn(C)nn4)cnc3cn2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?
The InChIKey is OKNNIONPPMEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-13-20(23-24-25)15-7-14-8-16(21-11-19(14)22-10-15)9-17(27)12-26-5-3-18(28-2)4-6-26/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?
1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one has a molecular weight of 380.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one is sourced from PubChem (CID 148782259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).