2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

C23H19F4N3O2 — CID 139295378

IUPAC2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H19F4N3O2/c24-16-3-6-20-19(13-16)18(7-10-28-20)14-8-11-30(12-9-14)22(32)21(31)29-17-4-1-15(2-5-17)23(25,26)27/h1-7,10,13-14H,8-9,11-12H2,(H,29,31)
InChIKeyGWKPHIATJBPVLJ-UHFFFAOYSA-N
MW445.42 g/mol
LogP4.74
Rot. Bonds2

About 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 139295378) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID139295378
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H19F4N3O2/c24-16-3-6-20-19(13-16)18(7-10-28-20)14-8-11-30(12-9-14)22(32)21(31)29-17-4-1-15(2-5-17)23(25,26)27/h1-7,10,13-14H,8-9,11-12H2,(H,29,31)
InChIKeyGWKPHIATJBPVLJ-UHFFFAOYSA-N
XLogP4.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (CID 139295378) is 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GWKPHIATJBPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-16-3-6-20-19(13-16)18(7-10-28-20)14-8-11-30(12-9-14)22(32)21(31)29-17-4-1-15(2-5-17)23(25,26)27/h1-7,10,13-14H,8-9,11-12H2,(H,29,31).
What are the key properties of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 445.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139295378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).