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

C24H27F2N3O2 — CID 58579384

IUPAC1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(F)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H27F2N3O2/c1-31-19-15-23-22(27-16-19)6-7-24(30)29(23)13-12-28-10-8-17(9-11-28)2-3-18-4-5-20(25)21(26)14-18/h4-7,14-17H,2-3,8-13H2,1H3
InChIKeyORAAJFPBOJQTAI-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.03
Rot. Bonds7

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

1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 58579384) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID58579384
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(F)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H27F2N3O2/c1-31-19-15-23-22(27-16-19)6-7-24(30)29(23)13-12-28-10-8-17(9-11-28)2-3-18-4-5-20(25)21(26)14-18/h4-7,14-17H,2-3,8-13H2,1H3
InChIKeyORAAJFPBOJQTAI-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 58579384) is 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(F)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is ORAAJFPBOJQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c1-31-19-15-23-22(27-16-19)6-7-24(30)29(23)13-12-28-10-8-17(9-11-28)2-3-18-4-5-20(25)21(26)14-18/h4-7,14-17H,2-3,8-13H2,1H3.
What are the key properties of 1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 427.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).