2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one

C23H33N3O3 — CID 46194210

IUPAC2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OC3CCN(C4CCC4)CC3)nc2CCN1CC1CCOCC1
InChIInChI=1S/C23H33N3O3/c27-23-20-4-5-22(29-19-6-11-25(12-7-19)18-2-1-3-18)24-21(20)8-13-26(23)16-17-9-14-28-15-10-17/h4-5,17-19H,1-3,6-16H2
InChIKeyBIMKJAGRMDDXAY-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.90
Rot. Bonds5

About 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one

2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 46194210) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID46194210
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OC3CCN(C4CCC4)CC3)nc2CCN1CC1CCOCC1
InChIInChI=1S/C23H33N3O3/c27-23-20-4-5-22(29-19-6-11-25(12-7-19)18-2-1-3-18)24-21(20)8-13-26(23)16-17-9-14-28-15-10-17/h4-5,17-19H,1-3,6-16H2
InChIKeyBIMKJAGRMDDXAY-UHFFFAOYSA-N
XLogP2.90
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 46194210) is 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(OC3CCN(C4CCC4)CC3)nc2CCN1CC1CCOCC1.
What is the InChIKey of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is BIMKJAGRMDDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-23-20-4-5-22(29-19-6-11-25(12-7-19)18-2-1-3-18)24-21(20)8-13-26(23)16-17-9-14-28-15-10-17/h4-5,17-19H,1-3,6-16H2.
What are the key properties of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 399.54 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 46194210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).