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

C24H25F4N3O — CID 58579455

IUPAC7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H25F4N3O/c25-20-15-22-21(29-16-20)7-8-23(32)31(22)14-13-30-11-9-18(10-12-30)2-1-17-3-5-19(6-4-17)24(26,27)28/h3-8,15-16,18H,1-2,9-14H2
InChIKeyMILJAFFMLMRGDG-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.90
Rot. Bonds6

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

7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579455) has the molecular formula C24H25F4N3O and a molecular weight of 447.48 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID58579455
Molecular FormulaC24H25F4N3O
Molecular Weight447.48 g/mol
Exact Mass447.19
IUPAC Name7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H25F4N3O/c25-20-15-22-21(29-16-20)7-8-23(32)31(22)14-13-30-11-9-18(10-12-30)2-1-17-3-5-19(6-4-17)24(26,27)28/h3-8,15-16,18H,1-2,9-14H2
InChIKeyMILJAFFMLMRGDG-UHFFFAOYSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579455) is 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is MILJAFFMLMRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N3O/c25-20-15-22-21(29-16-20)7-8-23(32)31(22)14-13-30-11-9-18(10-12-30)2-1-17-3-5-19(6-4-17)24(26,27)28/h3-8,15-16,18H,1-2,9-14H2.
What are the key properties of 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 447.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).