1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one

C23H34N2O6S — CID 15485937

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C23H34N2O6S/c26-21(20-3-1-4-22-23(20)31-17-16-30-22)6-5-19-7-10-24(11-8-19)9-2-18-32(27,28)25-12-14-29-15-13-25/h1,3-4,19H,2,5-18H2
InChIKeyJJTPUDOJZJXBGT-UHFFFAOYSA-N
MW466.60 g/mol
LogP2.18
Rot. Bonds9

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one (PubChem CID 15485937) has the molecular formula C23H34N2O6S and a molecular weight of 466.60 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one
PubChem CID15485937
Molecular FormulaC23H34N2O6S
Molecular Weight466.60 g/mol
Exact Mass466.21
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C23H34N2O6S/c26-21(20-3-1-4-22-23(20)31-17-16-30-22)6-5-19-7-10-24(11-8-19)9-2-18-32(27,28)25-12-14-29-15-13-25/h1,3-4,19H,2,5-18H2
InChIKeyJJTPUDOJZJXBGT-UHFFFAOYSA-N
XLogP2.18
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one (CID 15485937) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one?
The InChIKey is JJTPUDOJZJXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6S/c26-21(20-3-1-4-22-23(20)31-17-16-30-22)6-5-19-7-10-24(11-8-19)9-2-18-32(27,28)25-12-14-29-15-13-25/h1,3-4,19H,2,5-18H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one has a molecular weight of 466.60 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(3-morpholin-4-ylsulfonylpropyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 15485937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).