1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid

C16H19F3N2O3 — CID 22380761

IUPAC1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C14H18N2O.C2HF3O2/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;3-2(4,5)1(6)7/h1-4,12,15H,5-10H2;(H,6,7)
InChIKeyQHZATJQDUFOOQO-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.35
Rot. Bonds1

About 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid

1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 22380761) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID22380761
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C14H18N2O.C2HF3O2/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;3-2(4,5)1(6)7/h1-4,12,15H,5-10H2;(H,6,7)
InChIKeyQHZATJQDUFOOQO-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid 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-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid (CID 22380761) is 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCc2ccccc2N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is QHZATJQDUFOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2HF3O2/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;3-2(4,5)1(6)7/h1-4,12,15H,5-10H2;(H,6,7).
What are the key properties of 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid?
1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 344.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3,4-dihydroquinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).