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

C24H23ClFN3O2 — CID 139295372

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
SMILESCC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCC1c1ccnc2ccc(F)cc12
InChIInChI=1S/C24H23ClFN3O2/c1-24(2)14-29(23(31)22(30)28-17-6-3-15(25)4-7-17)12-10-20(24)18-9-11-27-21-8-5-16(26)13-19(18)21/h3-9,11,13,20H,10,12,14H2,1-2H3,(H,28,30)
InChIKeyKLBRJGLBPSMKQT-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.01
Rot. Bonds2

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

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 139295372) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
PubChem CID139295372
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide
SMILESCC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCC1c1ccnc2ccc(F)cc12
InChIInChI=1S/C24H23ClFN3O2/c1-24(2)14-29(23(31)22(30)28-17-6-3-15(25)4-7-17)12-10-20(24)18-9-11-27-21-8-5-16(26)13-19(18)21/h3-9,11,13,20H,10,12,14H2,1-2H3,(H,28,30)
InChIKeyKLBRJGLBPSMKQT-UHFFFAOYSA-N
XLogP5.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 138687620
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
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
(2R)-N-(4-chlorophenyl)-2-[(1R,4R)-4-(6-fluoroquinolin-4-yl)cyclohex-2-en-1-yl]propanamide
CID 134823837
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-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
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
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide (CID 139295372) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide is CC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)cc2)CCC1c1ccnc2ccc(F)cc12.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is KLBRJGLBPSMKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-24(2)14-29(23(31)22(30)28-17-6-3-15(25)4-7-17)12-10-20(24)18-9-11-27-21-8-5-16(26)13-19(18)21/h3-9,11,13,20H,10,12,14H2,1-2H3,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 439.92 g/mol, XLogP of 5.01, 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)-3,3-dimethylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).