1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C23H24F3N3O — CID 58579424

IUPAC1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C23H24F3N3O/c24-18-14-22-21(27-15-18)5-6-23(30)29(22)12-11-28-9-7-16(8-10-28)1-2-17-3-4-19(25)20(26)13-17/h3-6,13-16H,1-2,7-12H2
InChIKeyDLWSAOBFYUJKGN-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 58579424) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID58579424
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C23H24F3N3O/c24-18-14-22-21(27-15-18)5-6-23(30)29(22)12-11-28-9-7-16(8-10-28)1-2-17-3-4-19(25)20(26)13-17/h3-6,13-16H,1-2,7-12H2
InChIKeyDLWSAOBFYUJKGN-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 58579424) is 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is DLWSAOBFYUJKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c24-18-14-22-21(27-15-18)5-6-23(30)29(22)12-11-28-9-7-16(8-10-28)1-2-17-3-4-19(25)20(26)13-17/h3-6,13-16H,1-2,7-12H2.
What are the key properties of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 415.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).