1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C17H24N4O3S — CID 51260859

IUPAC1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESN#CCCCCN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H24N4O3S/c18-10-2-1-3-11-21-12-8-14(9-13-21)17(22)20-15-4-6-16(7-5-15)25(19,23)24/h4-7,14H,1-3,8-9,11-13H2,(H,20,22)(H2,19,23,24)
InChIKeyBAGOWRTZBGWZAJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.68
Rot. Bonds7

About 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 51260859) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID51260859
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESN#CCCCCN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H24N4O3S/c18-10-2-1-3-11-21-12-8-14(9-13-21)17(22)20-15-4-6-16(7-5-15)25(19,23)24/h4-7,14H,1-3,8-9,11-13H2,(H,20,22)(H2,19,23,24)
InChIKeyBAGOWRTZBGWZAJ-UHFFFAOYSA-N
XLogP1.68
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
CID 41134383
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 24589298
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
1-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 47009647
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 51260859) is 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is N#CCCCCN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is BAGOWRTZBGWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c18-10-2-1-3-11-21-12-8-14(9-13-21)17(22)20-15-4-6-16(7-5-15)25(19,23)24/h4-7,14H,1-3,8-9,11-13H2,(H,20,22)(H2,19,23,24).
What are the key properties of 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 51260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).