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

C18H23FN4O3S — CID 6463963

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O3S/c19-16-2-4-17(5-3-16)27(25,26)23-11-6-15(7-12-23)18(24)21-8-1-10-22-13-9-20-14-22/h2-5,9,13-15H,1,6-8,10-12H2,(H,21,24)
InChIKeyLRZICFJNJVZQCV-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.63
Rot. Bonds7

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

1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 6463963) 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-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID6463963
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O3S/c19-16-2-4-17(5-3-16)27(25,26)23-11-6-15(7-12-23)18(24)21-8-1-10-22-13-9-20-14-22/h2-5,9,13-15H,1,6-8,10-12H2,(H,21,24)
InChIKeyLRZICFJNJVZQCV-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide (CID 6463963) is 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is LRZICFJNJVZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c19-16-2-4-17(5-3-16)27(25,26)23-11-6-15(7-12-23)18(24)21-8-1-10-22-13-9-20-14-22/h2-5,9,13-15H,1,6-8,10-12H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 6463963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).