4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine

C20H23NO4S — CID 1129609

IUPAC4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO4S/c22-26(23,18-6-7-19-20(15-18)25-13-12-24-19)21-10-8-17(9-11-21)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2
InChIKeyJCYYHCPDZICGJX-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.10
Rot. Bonds4

About 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine

4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (PubChem CID 1129609) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
PubChem CID1129609
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO4S/c22-26(23,18-6-7-19-20(15-18)25-13-12-24-19)21-10-8-17(9-11-21)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2
InChIKeyJCYYHCPDZICGJX-UHFFFAOYSA-N
XLogP3.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine 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

4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 24637551
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
6-(4-benzylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 110345025
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]methyl]azepane
CID 50848210
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
CID 110644216
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyrazol-1-ylmethyl)piperidine
CID 71781189
(7S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-7-phenyl-1,4-thiazepane
CID 124670839
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
N-benzyl-N-[(2R)-butan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 41292474

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The IUPAC name of 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine (CID 1129609) is 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
The InChIKey is JCYYHCPDZICGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c22-26(23,18-6-7-19-20(15-18)25-13-12-24-19)21-10-8-17(9-11-21)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2.
What are the key properties of 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine?
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine has a molecular weight of 373.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine is sourced from PubChem (CID 1129609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).