N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide

C22H19ClFN3O3 — CID 138687620

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)C(O)C1
InChIInChI=1S/C22H19ClFN3O3/c23-13-1-4-15(5-2-13)26-21(29)22(30)27-10-8-17(20(28)12-27)16-7-9-25-19-6-3-14(24)11-18(16)19/h1-7,9,11,17,20,28H,8,10,12H2,(H,26,29)
InChIKeyGZSMNWZYUMDTHO-UHFFFAOYSA-N
MW427.86 g/mol
LogP3.34
Rot. Bonds2

About N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide (PubChem CID 138687620) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
PubChem CID138687620
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)C(O)C1
InChIInChI=1S/C22H19ClFN3O3/c23-13-1-4-15(5-2-13)26-21(29)22(30)27-10-8-17(20(28)12-27)16-7-9-25-19-6-3-14(24)11-18(16)19/h1-7,9,11,17,20,28H,8,10,12H2,(H,26,29)
InChIKeyGZSMNWZYUMDTHO-UHFFFAOYSA-N
XLogP3.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-[(3S,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3S,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione
CID 157102398
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 139295372
4-[[2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]benzamide
CID 139295457
N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 159654993
(2R)-N-(4-chlorophenyl)-2-[(1R,4R)-4-(6-fluoroquinolin-4-yl)cyclohex-2-en-1-yl]propanamide
CID 134823837
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide (CID 138687620) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)C(O)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The InChIKey is GZSMNWZYUMDTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c23-13-1-4-15(5-2-13)26-21(29)22(30)27-10-8-17(20(28)12-27)16-7-9-25-19-6-3-14(24)11-18(16)19/h1-7,9,11,17,20,28H,8,10,12H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide has a molecular weight of 427.86 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 138687620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).