1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone

C18H20N4O4 — CID 110113060

IUPAC1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccnc1C1CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C18H20N4O4/c1-21(2)17-16(19-5-6-20-17)15-10-22(7-8-24-15)18(23)12-3-4-13-14(9-12)26-11-25-13/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyFESOAHHXMXPOOJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.49
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 110113060) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
PubChem CID110113060
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccnc1C1CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C18H20N4O4/c1-21(2)17-16(19-5-6-20-17)15-10-22(7-8-24-15)18(23)12-3-4-13-14(9-12)26-11-25-13/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyFESOAHHXMXPOOJ-UHFFFAOYSA-N
XLogP1.49
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 125015057
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone (CID 110113060) is 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone is CN(C)c1nccnc1C1CN(C(=O)c2ccc3c(c2)OCO3)CCO1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The InChIKey is FESOAHHXMXPOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21(2)17-16(19-5-6-20-17)15-10-22(7-8-24-15)18(23)12-3-4-13-14(9-12)26-11-25-13/h3-6,9,15H,7-8,10-11H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 356.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 110113060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).