1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C19H23N3O3 — CID 56779788

IUPAC1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1C1CCCN(C(=O)c2cccc3c2OCO3)C1
InChIInChI=1S/C19H23N3O3/c1-13(2)18-20-8-10-22(18)14-5-4-9-21(11-14)19(23)15-6-3-7-16-17(15)25-12-24-16/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3
InChIKeyLHZGXTCHWSOPHG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.21
Rot. Bonds3

About 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779788) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779788
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1C1CCCN(C(=O)c2cccc3c2OCO3)C1
InChIInChI=1S/C19H23N3O3/c1-13(2)18-20-8-10-22(18)14-5-4-9-21(11-14)19(23)15-6-3-7-16-17(15)25-12-24-16/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3
InChIKeyLHZGXTCHWSOPHG-UHFFFAOYSA-N
XLogP3.21
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 56779788) is 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CC(C)c1nccn1C1CCCN(C(=O)c2cccc3c2OCO3)C1.
What is the InChIKey of 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is LHZGXTCHWSOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)18-20-8-10-22(18)14-5-4-9-21(11-14)19(23)15-6-3-7-16-17(15)25-12-24-16/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3.
What are the key properties of 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).