1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide

C21H20FN3O — CID 70458673

IUPAC1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(F)cccc23)CC1
InChIInChI=1S/C21H20FN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26)
InChIKeyKJVRTTVCVILBOJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.74
Rot. Bonds3

About 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide

1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 70458673) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
PubChem CID70458673
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(F)cccc23)CC1
InChIInChI=1S/C21H20FN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26)
InChIKeyKJVRTTVCVILBOJ-UHFFFAOYSA-N
XLogP3.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide (CID 70458673) is 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(-c3ccccc3)nc3c(F)cccc23)CC1.
What is the InChIKey of 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is KJVRTTVCVILBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-17-8-4-7-16-19(25-11-9-15(10-12-25)21(23)26)13-18(24-20(16)17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H2,23,26).
What are the key properties of 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide?
1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).