[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone

C24H28FN3O2 — CID 46183912

IUPAC[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C24H28FN3O2/c25-21-7-2-1-6-20(21)24(29)28-15-12-22-17(16-28)8-9-23(26-22)30-19-10-13-27(14-11-19)18-4-3-5-18/h1-2,6-9,18-19H,3-5,10-16H2
InChIKeyAUWFFRNRYRCDMQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.81
Rot. Bonds4

About [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone

[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone (PubChem CID 46183912) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
PubChem CID46183912
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C24H28FN3O2/c25-21-7-2-1-6-20(21)24(29)28-15-12-22-17(16-28)8-9-23(26-22)30-19-10-13-27(14-11-19)18-4-3-5-18/h1-2,6-9,18-19H,3-5,10-16H2
InChIKeyAUWFFRNRYRCDMQ-UHFFFAOYSA-N
XLogP3.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone (CID 46183912) is [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1.
What is the InChIKey of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone?
The InChIKey is AUWFFRNRYRCDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-21-7-2-1-6-20(21)24(29)28-15-12-22-17(16-28)8-9-23(26-22)30-19-10-13-27(14-11-19)18-4-3-5-18/h1-2,6-9,18-19H,3-5,10-16H2.
What are the key properties of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone?
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone has a molecular weight of 409.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 46183912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).