[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H20N4O3 — CID 42024666

IUPAC[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H20N4O3/c1-13-17(25-15-5-3-2-4-14(15)24-13)18(23)22-10-8-21(9-11-22)16-12-19-6-7-20-16/h2-7,12-13,17H,8-11H2,1H3/t13-,17-/m1/s1
InChIKeyJZSLCYQWNAYLMH-CXAGYDPISA-N
MW340.38 g/mol
LogP1.35
Rot. Bonds2

About [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42024666) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42024666
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H20N4O3/c1-13-17(25-15-5-3-2-4-14(15)24-13)18(23)22-10-8-21(9-11-22)16-12-19-6-7-20-16/h2-7,12-13,17H,8-11H2,1H3/t13-,17-/m1/s1
InChIKeyJZSLCYQWNAYLMH-CXAGYDPISA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 75402421
azepan-1-yl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061459
azepan-1-yl-[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061458
1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 51930801
[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 35190681
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43071049
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 43041303
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 63713980

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42024666) is [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JZSLCYQWNAYLMH-CXAGYDPISA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-17(25-15-5-3-2-4-14(15)24-13)18(23)22-10-8-21(9-11-22)16-12-19-6-7-20-16/h2-7,12-13,17H,8-11H2,1H3/t13-,17-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42024666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).