1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C23H24ClN3O — CID 133356339

IUPAC1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-16-2-4-17(5-3-16)15-26-23(28)18-9-12-27(13-10-18)22-8-11-25-21-14-19(24)6-7-20(21)22/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28)
InChIKeyZIYUOCQIGLNNTH-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.73
Rot. Bonds4

About 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356339) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356339
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-16-2-4-17(5-3-16)15-26-23(28)18-9-12-27(13-10-18)22-8-11-25-21-14-19(24)6-7-20(21)22/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28)
InChIKeyZIYUOCQIGLNNTH-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.73
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
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
CID 24830844
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53077994
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356339) is 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZIYUOCQIGLNNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-16-2-4-17(5-3-16)15-26-23(28)18-9-12-27(13-10-18)22-8-11-25-21-14-19(24)6-7-20(21)22/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28).
What are the key properties of 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).