1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide

C22H34FN3O4S — CID 24633492

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C22H34FN3O4S/c1-17(2)15-20(25-11-13-30-14-12-25)16-24-22(27)18-7-9-26(10-8-18)31(28,29)21-5-3-19(23)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,24,27)
InChIKeyJKLORWVKEUEFIX-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.09
Rot. Bonds8

About 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide (PubChem CID 24633492) has the molecular formula C22H34FN3O4S and a molecular weight of 455.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
PubChem CID24633492
Molecular FormulaC22H34FN3O4S
Molecular Weight455.60 g/mol
Exact Mass455.23
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C22H34FN3O4S/c1-17(2)15-20(25-11-13-30-14-12-25)16-24-22(27)18-7-9-26(10-8-18)31(28,29)21-5-3-19(23)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,24,27)
InChIKeyJKLORWVKEUEFIX-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide (CID 24633492) is 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide is CC(C)CC(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
The InChIKey is JKLORWVKEUEFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O4S/c1-17(2)15-20(25-11-13-30-14-12-25)16-24-22(27)18-7-9-26(10-8-18)31(28,29)21-5-3-19(23)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 2.09, 8 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-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide is sourced from PubChem (CID 24633492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).