1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

C16H18F3N3O — CID 141190555

IUPAC1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(C(F)(F)F)cc2n1CCN1CCCCC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-10-14-13(20-11-12)4-5-15(23)22(14)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2
InChIKeyIWQBDNLVRALKRI-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.90
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (PubChem CID 141190555) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
PubChem CID141190555
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(C(F)(F)F)cc2n1CCN1CCCCC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-10-14-13(20-11-12)4-5-15(23)22(14)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2
InChIKeyIWQBDNLVRALKRI-UHFFFAOYSA-N
XLogP2.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-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-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (CID 141190555) is 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is O=c1ccc2ncc(C(F)(F)F)cc2n1CCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The InChIKey is IWQBDNLVRALKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)12-10-14-13(20-11-12)4-5-15(23)22(14)9-8-21-6-2-1-3-7-21/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one has a molecular weight of 325.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 141190555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).