[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone

C32H36N2O6S — CID 15870384

IUPAC[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C
InChIInChI=1S/C32H36N2O6S/c1-22-4-3-5-29(23(22)2)32(35)34-16-12-24(13-17-34)33-18-14-26(15-19-33)40-25-6-8-27(9-7-25)41(36,37)28-10-11-30-31(20-28)39-21-38-30/h3-11,20,24,26H,12-19,21H2,1-2H3
InChIKeyHGNHDNMSOVDSPL-UHFFFAOYSA-N
MW576.72 g/mol
LogP5.01
Rot. Bonds6

About [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone

[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone (PubChem CID 15870384) has the molecular formula C32H36N2O6S and a molecular weight of 576.72 g/mol. Its IUPAC name is [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone
PubChem CID15870384
Molecular FormulaC32H36N2O6S
Molecular Weight576.72 g/mol
Exact Mass576.23
IUPAC Name[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C
InChIInChI=1S/C32H36N2O6S/c1-22-4-3-5-29(23(22)2)32(35)34-16-12-24(13-17-34)33-18-14-26(15-19-33)40-25-6-8-27(9-7-25)41(36,37)28-10-11-30-31(20-28)39-21-38-30/h3-11,20,24,26H,12-19,21H2,1-2H3
InChIKeyHGNHDNMSOVDSPL-UHFFFAOYSA-N
XLogP5.01
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone 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 [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone?
The IUPAC name of [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone (CID 15870384) is [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone?
The canonical SMILES for [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C.
What is the InChIKey of [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone?
The InChIKey is HGNHDNMSOVDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O6S/c1-22-4-3-5-29(23(22)2)32(35)34-16-12-24(13-17-34)33-18-14-26(15-19-33)40-25-6-8-27(9-7-25)41(36,37)28-10-11-30-31(20-28)39-21-38-30/h3-11,20,24,26H,12-19,21H2,1-2H3.
What are the key properties of [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone?
[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone has a molecular weight of 576.72 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 15870384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).