2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone

C15H19NO3 — CID 25162782

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H19NO3/c1-11-3-2-6-16(10-11)15(17)12-4-5-13-14(9-12)19-8-7-18-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyOMQGIQZVEFDHAY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone (PubChem CID 25162782) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone
PubChem CID25162782
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H19NO3/c1-11-3-2-6-16(10-11)15(17)12-4-5-13-14(9-12)19-8-7-18-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyOMQGIQZVEFDHAY-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone (CID 25162782) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OMQGIQZVEFDHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-3-2-6-16(10-11)15(17)12-4-5-13-14(9-12)19-8-7-18-13/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 25162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).