N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide

C22H22N4O3 — CID 46365174

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C22H22N4O3/c27-22(23-15-8-9-18-19(14-15)29-13-12-28-18)20-21(26-10-4-1-5-11-26)25-17-7-3-2-6-16(17)24-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,27)
InChIKeyHFXRAOZCRGIPIQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.64
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide (PubChem CID 46365174) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
PubChem CID46365174
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C22H22N4O3/c27-22(23-15-8-9-18-19(14-15)29-13-12-28-18)20-21(26-10-4-1-5-11-26)25-17-7-3-2-6-16(17)24-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,27)
InChIKeyHFXRAOZCRGIPIQ-UHFFFAOYSA-N
XLogP3.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 50841142
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590240
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108518
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20904944
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide (CID 46365174) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The InChIKey is HFXRAOZCRGIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-22(23-15-8-9-18-19(14-15)29-13-12-28-18)20-21(26-10-4-1-5-11-26)25-17-7-3-2-6-16(17)24-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46365174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).