1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C18H19N3O3 — CID 124985003

IUPAC1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C18H19N3O3/c1-12-9-19-10-15(20-12)13-4-6-21(7-5-13)18(22)14-2-3-16-17(8-14)24-11-23-16/h2-3,8-10,13H,4-7,11H2,1H3
InChIKeyNOTKIJRHBNCIJK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.53
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124985003) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID124985003
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C18H19N3O3/c1-12-9-19-10-15(20-12)13-4-6-21(7-5-13)18(22)14-2-3-16-17(8-14)24-11-23-16/h2-3,8-10,13H,4-7,11H2,1H3
InChIKeyNOTKIJRHBNCIJK-UHFFFAOYSA-N
XLogP2.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95845680
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846134
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
1,3-benzodioxol-5-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16669558
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
1,3-benzodioxol-5-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124961819
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
1,3-benzodioxol-5-yl-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088055

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 124985003) is 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is NOTKIJRHBNCIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-9-19-10-15(20-12)13-4-6-21(7-5-13)18(22)14-2-3-16-17(8-14)24-11-23-16/h2-3,8-10,13H,4-7,11H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124985003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).