N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide

C17H22N4O — CID 74236742

IUPACN-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1nc2ccccc2nc1C
InChIInChI=1S/C17H22N4O/c1-12-15(20-14-8-4-3-7-13(14)19-12)11-21-10-6-5-9-16(21)17(22)18-2/h3-4,7-8,16H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyUWOCZNDTABEJMA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.04
Rot. Bonds3

About N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide

N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 74236742) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
PubChem CID74236742
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1nc2ccccc2nc1C
InChIInChI=1S/C17H22N4O/c1-12-15(20-14-8-4-3-7-13(14)19-12)11-21-10-6-5-9-16(21)17(22)18-2/h3-4,7-8,16H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyUWOCZNDTABEJMA-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103182204
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide
CID 125136303
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
N-methyl-1-[(3-pyridin-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 75438609
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide (CID 74236742) is N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1nc2ccccc2nc1C.
What is the InChIKey of N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is UWOCZNDTABEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-15(20-14-8-4-3-7-13(14)19-12)11-21-10-6-5-9-16(21)17(22)18-2/h3-4,7-8,16H,5-6,9-11H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide?
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 74236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).