1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide

C17H21N3O2 — CID 4880286

IUPAC1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(C)cc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C17H21N3O2/c1-11-9-16(20-7-5-12(6-8-20)17(18)21)14-10-13(22-2)3-4-15(14)19-11/h3-4,9-10,12H,5-8H2,1-2H3,(H2,18,21)
InChIKeyILXWIPYNKQDJEE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.25
Rot. Bonds3

About 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide

1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 4880286) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide
PubChem CID4880286
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(C)cc(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C17H21N3O2/c1-11-9-16(20-7-5-12(6-8-20)17(18)21)14-10-13(22-2)3-4-15(14)19-11/h3-4,9-10,12H,5-8H2,1-2H3,(H2,18,21)
InChIKeyILXWIPYNKQDJEE-UHFFFAOYSA-N
XLogP2.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide (CID 4880286) is 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide is COc1ccc2nc(C)cc(N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is ILXWIPYNKQDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-9-16(20-7-5-12(6-8-20)17(18)21)14-10-13(22-2)3-4-15(14)19-11/h3-4,9-10,12H,5-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide?
1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4880286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).