2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine

C18H22N4O2 — CID 58006648

IUPAC2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cnc(-c3ccc4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H22N4O2/c1-13(2)21-5-7-22(8-6-21)18-11-19-15(10-20-18)14-3-4-16-17(9-14)24-12-23-16/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyVHAPMCMETOZZQS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.40
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine

2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine (PubChem CID 58006648) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
PubChem CID58006648
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cnc(-c3ccc4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H22N4O2/c1-13(2)21-5-7-22(8-6-21)18-11-19-15(10-20-18)14-3-4-16-17(9-14)24-12-23-16/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyVHAPMCMETOZZQS-UHFFFAOYSA-N
XLogP2.40
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688
methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 158847619
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
1-[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 59465180
5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
CID 116977203
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
4-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 118911337
(1R,5R)-3-[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 25157633
1,4-bis[5-(7-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-diazepane;methane
CID 161259868
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine (CID 58006648) is 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine is CC(C)N1CCN(c2cnc(-c3ccc4c(c3)OCO4)cn2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is VHAPMCMETOZZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)21-5-7-22(8-6-21)18-11-19-15(10-20-18)14-3-4-16-17(9-14)24-12-23-16/h3-4,9-11,13H,5-8,12H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 326.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 58006648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).