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

C22H19ClFN3O2 — CID 139295357

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H19ClFN3O2/c23-15-1-4-17(5-2-15)26-21(28)22(29)27-11-8-14(9-12-27)18-7-10-25-20-6-3-16(24)13-19(18)20/h1-7,10,13-14H,8-9,11-12H2,(H,26,28)
InChIKeyBBNKZBRNGRLKCM-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.37
Rot. Bonds2

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

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 139295357) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID139295357
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C22H19ClFN3O2/c23-15-1-4-17(5-2-15)26-21(28)22(29)27-11-8-14(9-12-27)18-7-10-25-20-6-3-16(24)13-19(18)20/h1-7,10,13-14H,8-9,11-12H2,(H,26,28)
InChIKeyBBNKZBRNGRLKCM-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.37
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 N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 139295357) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is BBNKZBRNGRLKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c23-15-1-4-17(5-2-15)26-21(28)22(29)27-11-8-14(9-12-27)18-7-10-25-20-6-3-16(24)13-19(18)20/h1-7,10,13-14H,8-9,11-12H2,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 411.86 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).