N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

C25H25N3O5S — CID 171378526

IUPACN-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cn1
InChIInChI=1S/C25H25N3O5S/c1-17-5-6-19(15-26-17)22-4-2-3-13-28(22)34(30,31)21-10-8-20(9-11-21)27-25(29)18-7-12-23-24(14-18)33-16-32-23/h5-12,14-15,22H,2-4,13,16H2,1H3,(H,27,29)
InChIKeyWKZHCNDIGWUMRJ-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.29
Rot. Bonds5

About N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 171378526) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID171378526
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cn1
InChIInChI=1S/C25H25N3O5S/c1-17-5-6-19(15-26-17)22-4-2-3-13-28(22)34(30,31)21-10-8-20(9-11-21)27-25(29)18-7-12-23-24(14-18)33-16-32-23/h5-12,14-15,22H,2-4,13,16H2,1H3,(H,27,29)
InChIKeyWKZHCNDIGWUMRJ-UHFFFAOYSA-N
XLogP4.29
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide 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

N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048759
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 3622156
4-bromo-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774853
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
3-bromo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048774
N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 2712580
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 25492943
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1164335

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide (CID 171378526) is N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(C2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cn1.
What is the InChIKey of N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WKZHCNDIGWUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-17-5-6-19(15-26-17)22-4-2-3-13-28(22)34(30,31)21-10-8-20(9-11-21)27-25(29)18-7-12-23-24(14-18)33-16-32-23/h5-12,14-15,22H,2-4,13,16H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-methyl-3-pyridinyl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 171378526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).