2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone

C14H17NO3 — CID 90477242

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)C1CCNCC1
InChIInChI=1S/C14H17NO3/c16-13(10-4-6-15-7-5-10)11-2-1-3-12-14(11)18-9-8-17-12/h1-3,10,15H,4-9H2
InChIKeySQABAJACGVYOQN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.64
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone

2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone (PubChem CID 90477242) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
PubChem CID90477242
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)C1CCNCC1
InChIInChI=1S/C14H17NO3/c16-13(10-4-6-15-7-5-10)11-2-1-3-12-14(11)18-9-8-17-12/h1-3,10,15H,4-9H2
InChIKeySQABAJACGVYOQN-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone (CID 90477242) is 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone is O=C(c1cccc2c1OCCO2)C1CCNCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone?
The InChIKey is SQABAJACGVYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(10-4-6-15-7-5-10)11-2-1-3-12-14(11)18-9-8-17-12/h1-3,10,15H,4-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone?
2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 90477242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).