N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide

C17H21N3O — CID 166605152

IUPACN-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)20-9-5-6-13(11-20)17(21)18-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,21)
InChIKeyBJEBJHSTLWBAGM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide

N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 166605152) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID166605152
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)20-9-5-6-13(11-20)17(21)18-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,21)
InChIKeyBJEBJHSTLWBAGM-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
CID 171701055
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 95775268
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide (CID 166605152) is N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(C)c3ccccc3n2)C1.
What is the InChIKey of N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is BJEBJHSTLWBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)20-9-5-6-13(11-20)17(21)18-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide?
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 166605152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).