1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one

C14H17NO3 — CID 13253821

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C14H17NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,12H,5-10H2
InChIKeyDUDPIYGWSSTBIL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.49
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one (PubChem CID 13253821) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
PubChem CID13253821
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C14H17NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,12H,5-10H2
InChIKeyDUDPIYGWSSTBIL-UHFFFAOYSA-N
XLogP1.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621557
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidine-4-carboxamide
CID 175893248

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one (CID 13253821) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one is O=C1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one?
The InChIKey is DUDPIYGWSSTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-5-7-15(8-6-11)9-12-10-17-13-3-1-2-4-14(13)18-12/h1-4,12H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one has a molecular weight of 247.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one is sourced from PubChem (CID 13253821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).