1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

C18H23FN4O3S — CID 6463928

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O3S/c19-16-4-6-17(7-5-16)27(25,26)23-11-1-3-15(13-23)18(24)21-8-2-10-22-12-9-20-14-22/h4-7,9,12,14-15H,1-3,8,10-11,13H2,(H,21,24)
InChIKeyGVGZEYSNZDPYAB-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.63
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 6463928) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID6463928
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O3S/c19-16-4-6-17(7-5-16)27(25,26)23-11-1-3-15(13-23)18(24)21-8-2-10-22-12-9-20-14-22/h4-7,9,12,14-15H,1-3,8,10-11,13H2,(H,21,24)
InChIKeyGVGZEYSNZDPYAB-UHFFFAOYSA-N
XLogP1.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 5307476
N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5309447
N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 6463123
1-(2,5-Dichloro-benzenesulfonyl)-piperidine-3-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6491897
N1-(3-(1H-imidazol-1-yl)propyl)-N2-((3-((4-fluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 16194984
1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(3,4-Difluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127050749

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (CID 6463928) is 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1ccnc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GVGZEYSNZDPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c19-16-4-6-17(7-5-16)27(25,26)23-11-1-3-15(13-23)18(24)21-8-2-10-22-12-9-20-14-22/h4-7,9,12,14-15H,1-3,8,10-11,13H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 6463928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).