1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C24H26FN3O — CID 133368551

IUPAC1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C24H26FN3O/c1-16-3-5-18(6-4-16)15-26-24(29)19-9-11-28(12-10-19)23-13-17(2)27-22-8-7-20(25)14-21(22)23/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyFXLHQYOEIBEHAA-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.52
Rot. Bonds4

About 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133368551) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133368551
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C24H26FN3O/c1-16-3-5-18(6-4-16)15-26-24(29)19-9-11-28(12-10-19)23-13-17(2)27-22-8-7-20(25)14-21(22)23/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyFXLHQYOEIBEHAA-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
CID 139997630
1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20886642
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133368551) is 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FXLHQYOEIBEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-16-3-5-18(6-4-16)15-26-24(29)19-9-11-28(12-10-19)23-13-17(2)27-22-8-7-20(25)14-21(22)23/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,26,29).
What are the key properties of 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133368551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).