2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone

C15H20N2O3 — CID 10084828

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-6-2-1-3-7-17)10-16-9-12-4-5-13-14(8-12)20-11-19-13/h4-5,8,16H,1-3,6-7,9-11H2
InChIKeyJHIQIADKNCWKTC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone

2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone (PubChem CID 10084828) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone
PubChem CID10084828
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-6-2-1-3-7-17)10-16-9-12-4-5-13-14(8-12)20-11-19-13/h4-5,8,16H,1-3,6-7,9-11H2
InChIKeyJHIQIADKNCWKTC-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone (CID 10084828) is 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone is O=C(CNCc1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone?
The InChIKey is JHIQIADKNCWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-6-2-1-3-7-17)10-16-9-12-4-5-13-14(8-12)20-11-19-13/h4-5,8,16H,1-3,6-7,9-11H2.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone?
2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 10084828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).