1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide

C21H29N3O3S — CID 56920324

IUPAC1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCCCc2cccc3ccccc23)CC1
InChIInChI=1S/C21H29N3O3S/c1-23(2)28(26,27)24-15-12-19(13-16-24)21(25)22-14-6-10-18-9-5-8-17-7-3-4-11-20(17)18/h3-5,7-9,11,19H,6,10,12-16H2,1-2H3,(H,22,25)
InChIKeyIXADLQLYOHMJOM-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.41
Rot. Bonds7

About 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 56920324) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
PubChem CID56920324
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)NCCCc2cccc3ccccc23)CC1
InChIInChI=1S/C21H29N3O3S/c1-23(2)28(26,27)24-15-12-19(13-16-24)21(25)22-14-6-10-18-9-5-8-17-7-3-4-11-20(17)18/h3-5,7-9,11,19H,6,10,12-16H2,1-2H3,(H,22,25)
InChIKeyIXADLQLYOHMJOM-UHFFFAOYSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
N-[3-(2-chlorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649073
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 90524448

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide (CID 56920324) is 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide is CN(C)S(=O)(=O)N1CCC(C(=O)NCCCc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is IXADLQLYOHMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-23(2)28(26,27)24-15-12-19(13-16-24)21(25)22-14-6-10-18-9-5-8-17-7-3-4-11-20(17)18/h3-5,7-9,11,19H,6,10,12-16H2,1-2H3,(H,22,25).
What are the key properties of 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(3-naphthalen-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 56920324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).