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

C25H30FN3O2 — CID 58579425

IUPAC1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4cc(C)cc(F)c4)CC3)c2c1
InChIInChI=1S/C25H30FN3O2/c1-18-13-20(15-21(26)14-18)4-3-19-7-9-28(10-8-19)11-12-29-24-16-22(31-2)17-27-23(24)5-6-25(29)30/h5-6,13-17,19H,3-4,7-12H2,1-2H3
InChIKeyXVUAVZUWOGIXIR-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.20
Rot. Bonds7

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

1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 58579425) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID58579425
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4cc(C)cc(F)c4)CC3)c2c1
InChIInChI=1S/C25H30FN3O2/c1-18-13-20(15-21(26)14-18)4-3-19-7-9-28(10-8-19)11-12-29-24-16-22(31-2)17-27-23(24)5-6-25(29)30/h5-6,13-17,19H,3-4,7-12H2,1-2H3
InChIKeyXVUAVZUWOGIXIR-UHFFFAOYSA-N
XLogP4.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 58579425) is 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(CCc4cc(C)cc(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is XVUAVZUWOGIXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-13-20(15-21(26)14-18)4-3-19-7-9-28(10-8-19)11-12-29-24-16-22(31-2)17-27-23(24)5-6-25(29)30/h5-6,13-17,19H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[2-(3-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 423.53 g/mol, XLogP of 4.20, 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-fluoro-5-methylphenyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).