N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C23H19FN4O2 — CID 155280243

IUPACN-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-3-6-21-20(13-17)19(7-10-26-21)16-8-11-28(12-9-16)23(30)22(29)27-18-4-1-15(14-25)2-5-18/h1-7,10,13,16H,8-9,11-12H2,(H,27,29)
InChIKeyBVFHNVGHDQLSPB-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.59
Rot. Bonds2

About N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 155280243) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID155280243
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-3-6-21-20(13-17)19(7-10-26-21)16-8-11-28(12-9-16)23(30)22(29)27-18-4-1-15(14-25)2-5-18/h1-7,10,13,16H,8-9,11-12H2,(H,27,29)
InChIKeyBVFHNVGHDQLSPB-UHFFFAOYSA-N
XLogP3.59
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 155280243) is N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is N#Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is BVFHNVGHDQLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-3-6-21-20(13-17)19(7-10-26-21)16-8-11-28(12-9-16)23(30)22(29)27-18-4-1-15(14-25)2-5-18/h1-7,10,13,16H,8-9,11-12H2,(H,27,29).
What are the key properties of N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 402.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 155280243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).