1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide

C25H23FN4O — CID 53002561

IUPAC1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
SMILESN#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H23FN4O/c26-20-5-7-23-22(13-20)24(19(14-27)15-28-23)30-10-8-17(9-11-30)25(31)29-21-6-4-16-2-1-3-18(16)12-21/h4-7,12-13,15,17H,1-3,8-11H2,(H,29,31)
InChIKeyHTNQPJKQCVQPGH-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.59
Rot. Bonds3

About 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide

1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide (PubChem CID 53002561) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
PubChem CID53002561
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
SMILESN#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H23FN4O/c26-20-5-7-23-22(13-20)24(19(14-27)15-28-23)30-10-8-17(9-11-30)25(31)29-21-6-4-16-2-1-3-18(16)12-21/h4-7,12-13,15,17H,1-3,8-11H2,(H,29,31)
InChIKeyHTNQPJKQCVQPGH-UHFFFAOYSA-N
XLogP4.59
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 53002568
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide (CID 53002561) is 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide is N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide?
The InChIKey is HTNQPJKQCVQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-20-5-7-23-22(13-20)24(19(14-27)15-28-23)30-10-8-17(9-11-30)25(31)29-21-6-4-16-2-1-3-18(16)12-21/h4-7,12-13,15,17H,1-3,8-11H2,(H,29,31).
What are the key properties of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide?
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53002561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).