N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide

C23H20ClFN4O — CID 53002568

IUPACN-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(Cl)c1
InChIInChI=1S/C23H20ClFN4O/c1-14-2-4-21(19(24)10-14)28-23(30)15-6-8-29(9-7-15)22-16(12-26)13-27-20-5-3-17(25)11-18(20)22/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30)
InChIKeyLYTXMIWZOBOCQA-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.06
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide

N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 53002568) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
PubChem CID53002568
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC NameN-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(Cl)c1
InChIInChI=1S/C23H20ClFN4O/c1-14-2-4-21(19(24)10-14)28-23(30)15-6-8-29(9-7-15)22-16(12-26)13-27-20-5-3-17(25)11-18(20)22/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30)
InChIKeyLYTXMIWZOBOCQA-UHFFFAOYSA-N
XLogP5.06
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 53002561
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
1-(3-cyano-6-methylquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064366
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
N-(2-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384722
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide (CID 53002568) is N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is LYTXMIWZOBOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-14-2-4-21(19(24)10-14)28-23(30)15-6-8-29(9-7-15)22-16(12-26)13-27-20-5-3-17(25)11-18(20)22/h2-5,10-11,13,15H,6-9H2,1H3,(H,28,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53002568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).