N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide

C20H33N3O3S — CID 3241058

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-3-16-27(25,26)23-14-10-19(11-15-23)20(24)21-12-7-13-22(2)17-18-8-5-4-6-9-18/h4-6,8-9,19H,3,7,10-17H2,1-2H3,(H,21,24)
InChIKeyOQEJZOYRUZAKMF-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.08
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3241058) 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-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3241058
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-3-16-27(25,26)23-14-10-19(11-15-23)20(24)21-12-7-13-22(2)17-18-8-5-4-6-9-18/h4-6,8-9,19H,3,7,10-17H2,1-2H3,(H,21,24)
InChIKeyOQEJZOYRUZAKMF-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 3241058) is N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)Cc2ccccc2)CC1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is OQEJZOYRUZAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-3-16-27(25,26)23-14-10-19(11-15-23)20(24)21-12-7-13-22(2)17-18-8-5-4-6-9-18/h4-6,8-9,19H,3,7,10-17H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-propylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 3241058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).