1,3-benzodioxol-5-yl(piperidin-1-yl)methanone

C13H15NO3 — CID 1370

IUPAC1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2
InChIKeyBXBNADAPIHHXJQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.04
Rot. Bonds1

About 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone

1,3-benzodioxol-5-yl(piperidin-1-yl)methanone (PubChem CID 1370) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
PubChem CID1370
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2
InChIKeyBXBNADAPIHHXJQ-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone (CID 1370) is 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone?
The InChIKey is BXBNADAPIHHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone?
1,3-benzodioxol-5-yl(piperidin-1-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 1370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).