N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide

C20H33N3O3S — CID 3240860

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C20H33N3O3S/c1-3-15-27(25,26)23-14-7-11-19(17-23)20(24)21-12-8-13-22(2)16-18-9-5-4-6-10-18/h4-6,9-10,19H,3,7-8,11-17H2,1-2H3,(H,21,24)
InChIKeyROAMKAQTTHWHOX-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.08
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3240860) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3240860
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C20H33N3O3S/c1-3-15-27(25,26)23-14-7-11-19(17-23)20(24)21-12-8-13-22(2)16-18-9-5-4-6-10-18/h4-6,9-10,19H,3,7-8,11-17H2,1-2H3,(H,21,24)
InChIKeyROAMKAQTTHWHOX-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-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

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
Pentanamide, N-(1-(phenylmethyl)-4-piperidinyl)-2-propyl-
CID 778887
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
CID 25134249
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3240860) is N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is ROAMKAQTTHWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-3-15-27(25,26)23-14-7-11-19(17-23)20(24)21-12-8-13-22(2)16-18-9-5-4-6-10-18/h4-6,9-10,19H,3,7-8,11-17H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3240860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).