N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

C19H24N4O2 — CID 110745949

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C19H24N4O2/c1-12-13(2)22-18-10-16(4-5-17(18)21-12)19(25)20-11-15-6-8-23(9-7-15)14(3)24/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,25)
InChIKeyVRHCZVGBCZLKBE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110745949) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110745949
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C19H24N4O2/c1-12-13(2)22-18-10-16(4-5-17(18)21-12)19(25)20-11-15-6-8-23(9-7-15)14(3)24/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,25)
InChIKeyVRHCZVGBCZLKBE-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 124861903
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 131940985
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide
CID 110744132
(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 110304852
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110745949) is N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is CC(=O)N1CCC(CNC(=O)c2ccc3nc(C)c(C)nc3c2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is VRHCZVGBCZLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-13(2)22-18-10-16(4-5-17(18)21-12)19(25)20-11-15-6-8-23(9-7-15)14(3)24/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,25).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110745949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).