N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide

C20H22N2O5S — CID 647752

IUPACN-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O5S/c23-20(21-17-8-9-18-19(11-17)27-14-26-18)16-7-4-10-22(12-16)28(24,25)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,21,23)
InChIKeyZCZBVDCQHJOOIV-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.60
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide (PubChem CID 647752) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide
PubChem CID647752
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O5S/c23-20(21-17-8-9-18-19(11-17)27-14-26-18)16-7-4-10-22(12-16)28(24,25)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,21,23)
InChIKeyZCZBVDCQHJOOIV-UHFFFAOYSA-N
XLogP2.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-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

1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497309
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 162673377
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
CID 649505
N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 652815
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 986751
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1077681
N~1~-1,3-benzodioxol-5-yl-N~2~-benzyl-N~2~-(methylsulfonyl)glycinamide
CID 1082608
N-(1,3-benzodioxol-5-yl)-3-(diethylsulfamoyl)benzamide
CID 1087778

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide (CID 647752) is N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZCZBVDCQHJOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-20(21-17-8-9-18-19(11-17)27-14-26-18)16-7-4-10-22(12-16)28(24,25)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 647752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).