4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide

C15H21FN2O4S — CID 161302391

IUPAC4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(N)=O)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-22-11-10-18-8-6-15(7-9-18,14(17)19)23(20,21)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H2,17,19)
InChIKeyWXSKLEIQFLEOOZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.57
Rot. Bonds6

About 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide

4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 161302391) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID161302391
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(N)=O)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-22-11-10-18-8-6-15(7-9-18,14(17)19)23(20,21)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H2,17,19)
InChIKeyWXSKLEIQFLEOOZ-UHFFFAOYSA-N
XLogP0.57
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 161302391) is 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(N)=O)(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is WXSKLEIQFLEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-22-11-10-18-8-6-15(7-9-18,14(17)19)23(20,21)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H2,17,19).
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 161302391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).