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

C19H31N3O3S — CID 3242325

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-26(24,25)22-14-7-11-18(16-22)19(23)20-12-8-13-21(2)15-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3,(H,20,23)
InChIKeyGJHXSCLKRRXEGJ-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.69
Rot. Bonds9

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

N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 3242325) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID3242325
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-26(24,25)22-14-7-11-18(16-22)19(23)20-12-8-13-21(2)15-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3,(H,20,23)
InChIKeyGJHXSCLKRRXEGJ-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
CID 25134249
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 2921707
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(phenylsulfonyl)-3-piperidinecarboxamide
CID 2972016
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 3242325) is N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is GJHXSCLKRRXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-26(24,25)22-14-7-11-18(16-22)19(23)20-12-8-13-21(2)15-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.69, 9 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-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3242325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).