6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

C22H23FN4O2 — CID 146344050

IUPAC6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cccnc2CCN1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-16-3-4-18-20(14-16)29-25-21(18)15-5-9-26(10-6-15)12-13-27-11-7-19-17(22(27)28)2-1-8-24-19/h1-4,8,14-15H,5-7,9-13H2
InChIKeyWXUKVMDDBRUFBU-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.24
Rot. Bonds4

About 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 146344050) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID146344050
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cccnc2CCN1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-16-3-4-18-20(14-16)29-25-21(18)15-5-9-26(10-6-15)12-13-27-11-7-19-17(22(27)28)2-1-8-24-19/h1-4,8,14-15H,5-7,9-13H2
InChIKeyWXUKVMDDBRUFBU-UHFFFAOYSA-N
XLogP3.24
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 146344050) is 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2cccnc2CCN1CCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is WXUKVMDDBRUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-16-3-4-18-20(14-16)29-25-21(18)15-5-9-26(10-6-15)12-13-27-11-7-19-17(22(27)28)2-1-8-24-19/h1-4,8,14-15H,5-7,9-13H2.
What are the key properties of 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 394.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 146344050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).